Revised version PART II  of   Simulating a Variable Speed Centrifugal Compressor

   This is a Revised and Re-edited version dated Sep 2023   by A.E. for ChemEngmusings

The simulation model of a variable speed centrifugal compressor presented in the earlier post dated June 14, 2020 gives  the development and formulation of a calculation model to describe the simulation of the performance curves and the shaft power requirements of an existing vsc-compressor. This simulation model consists of two sub-process models: an ideal, isentropic compression process and an energy / power loss process proceeding concurrently in the real, existing compressor machine. This simulation model fits on part of a single Excel worksheet.

In the current post, in this -improved and revised- version of Part II of “Simulating a Variable Speed Centrifugal Compressor”, we are presenting a further development of this simulation by extending it with ability to simulate the surge line and the choke line in performance diagrams. In addition a new sub-model is developed to describe and calculate the (shaft) power-losses i.e. the energetic losses not converted in a pressure rise but in an (additional) temperature rise. With this new Power-loss sub-model the total shaft power requirement can be calculated without the aid of an efficiency factor like as was presented previously in the earlier post (Part I).

This post is long, divided in ten sections. Sections “1)” and “2)” summarize the simulation model and its modeling approach and principles as given in Part I. The remainder of Sections “3)” to “9)” describe the new extensions and additions of the simulation model. In Section “10)” images of  the simulation’s Excel worksheet are presented. These ten Sections are as follows:

‘1  Describing the principles behind the performance curves: a summary.

‘2  Fingerprinting the Characteristic Performance  (Model Identification).

‘3  Describing the Surge Points and Surge Line in the Performance Diagram.

‘4  Describing the Choke Points and Choke Line.

‘5  Thoughts on the Shape of the Fingerprint Curve ‘ H*fp

‘6  The Gas Power ‘Gad’ and the Unified  ‘G*ad’ Curve.

‘7  The Shaft Power ‘Ps’ and the Adiabatic Efficiency Factor ‘Eta-ad’ .

‘8  Fingerprinting the Overall Power-Loss Process(es)

            ‘8.1  Determination of the losses during operation of compressor  “vscCR-01” .

            ‘8.2  Pressure loss and Power Loss.

            ‘8.3  Characterizing the Overall Loss Processes.

            ‘8.4  Fingerprinting the Overall Loss Processes.

            ‘8.5  Predicting the Power Loss.

‘9  Predicting the Shaft Power in the Simulation of ‘vscCR-01”

’10 Upgraded and updated Simulation Excel Spreadsheet. The simulation consists of three parts on the same worksheet: 

         Part 1: Input data: Compressor Performance data ; Gas Quality data   

         Part 2 (A): Analyzing the Manufacturer’s data: calculation of Q* and H*

Part 2 (B) -1: ‘Fingerprinting’ the Performance Curves : H*fp  

Part 2 (B) -2:  Determination of the Surge – and Choke Points and Lines

Part 3: Simulation of Compressor “vscCR-01” including inter- and extrapolated speeds (7800 and 8800 rpm); the calculation of Discharge Pressure ; Pressure Ratio; Adiabatic Head; Gas Power; Power-Loss; Required (total) Shaft Power;  images of the worksheet Part 2 and Part 3 are shown.

A pdf version of this entire post is given here: https://mychemengmusings.files.wordpress.com/2023/09/part-ii-revisit-and-edit-31aug23-simulating-an-existing-variable-speed-centrifugal-compressor-4-pdf-publ-revised-final.pdf

1) Describing the principles behind the performance curves:  a summary 

We have seen earlier that the performance of a compressor is often presented by the manufacturer in a graphical way through the ‘mapping’ of how the pressure ratio of discharge over suction absolute pressure varies with volumetric suction flow rate for a number of compressor speeds.  Alternatively the absolute discharge pressure for a given suction pressure can be ‘mapped’ for various speeds. In addition the shaft power required to run the compressor under the conditions shown on the map is given. See earlier Charts for the particular existing compressor “vscCR-01” under study.

A simulation of the performance of a compressor in an excel spreadsheet is not and should not simply be a mathematical formula(s) just capable of capturing these curves on the map through curve-fitting, regression etc. Such formula’s are ‘blind’, are devoid of ‘insight’ into the essential principles at work in a running compressor and hence ‘risky’ to use outside the strictly specified operating conditions and parameters for which the compressor performance map was drawn. Parameters such as speed of rotation, feed rate range, gas quality with its many included physical property factors etc.

For this reason we have in the previous ‘Part I’ discussed the principles of a centrifugal compressor and its essential characteristics:

===>  a  centrifugal compressor in essence is a volume moving machine where the rotor design (impeller diameter, width , shape), in conjunction with gas quality, determines the gas volume moved per rotation.

===>  a centrifugal compressor is a head producing machine as the turning rotor causes the gas to exit the impeller’s perimeter at high velocities creating   “velocity head” that in the static part of the machine is converted into “pressure head”. (you could say “Bernoulli in operation”)     

The volume of gas ‘moved’ by an impeller is determined by the fixed geometry of the impeller (diameter, width of ‘flow-channels’, number and shape of blades), the number of rotations per unit of time, the nature of the gas and how this gas flows, its ‘flow-pattern’, through the impeller. 

Q1 = f * Qimp * S in which ‘Qimp’  is the volume the impeller can move per rotation which is fixed as per the geometric design of the impeller, ‘S’ is the speed of rotation, ‘f ‘ is the factor characterizing the flow pattern and   ‘Q1’ is the resulting suction volume flow rate.

Thus we can write : Q1 / ( Qimp * S ) = f = nearly constant!

Note :   Let us check the SI dimensions of the expression : 

 Q1 (m3/s) = f ( — ) * Qimp ( m3/rev) * S (rev/s )  : and hence ‘ f ’ is dimensionless.

Other units are commonly used to obtain more easily ’handled’ numbers like rpm,  like Q1 in m3/hour and ‘S’ in rev/min or rpm. When these are used in  this equation it means that we have to introduce additional constants to keep  the equation whole and numerically consistent!

The ‘head’ producing capability of the compressor also roots in the geometric/mechanical design of the rotor and stator, the impeller(s) in particular. We have chosen to model the compressor as performing an adiabatic compression of a real gas.  The impeller produces an adiabatic head (expressed in kJoule/kg)

‘Himp’ = 4 * Pi2 * S2 * D2 in which ‘S’ is the speed of rotation, and ‘D’ the impeller’s diameter. The volume moving capability is proportional to the speed of rotation, while the head is proportional to the square of the speed ! Higher speeds benefits higher heads stronger.

The total adiabatic head ‘Had ’ produced by the machine (impeller+diffuser) is influenced by the overall flow pattern through the machine (combined rotor and stator parts):  

   Had = hf * ‘Himp’ in which ‘hf ’ is the factor characterizing how the overall flow pattern is affecting the ‘production’ of adiabatic head  ‘Had ’ generated by the machine

 Had = * 4 * Pi2 * S2 * D2 and thus:

Had / (4 * Pi2 * S2 * D2 ) = hf and is nearly constant!

Note:  Let us check the SI dimensions : Had (kJ/kg) = hf’ (–) * 4 pi * S^2  (rev/s)^2 * D^2 ( m2 )  ; remember that   1 Joule= 1Nm= 1kgm/s^2 * 1m  then:  Had ( m2/s^2 ) = hf (–)  * 4 pi * (1 /s) ^2 * m2 and ‘hf ’ is dimensionless.

The unique performance of the existing machine is determined by its own geometrical configuration, its mechanical construction and its unique flow patterns established that are characterized by factors  ‘ f ‘  and  ‘ hf ’  .

These equations suggest that in order to describe the “head producing” and “volume moving” capability we would need the construction details of impeller’s, rotor, stator and more much more information  to analyze the flow patterns in order to asses how they affect those two capabilities, i.e. the performance curves and power consumption!

However, we do not have such construction details that manufacturers are very reticent to share.

But wait ! At this point it’s good to keep in mind that we want to model the performance of our existing compressor, but do not want to step in the compressor designer’s shoes! We want to model the machine from a user’s perspective; we are looking from the outside in, and only want the variables we have control over to be (mathematically) described in terms of the basic principles at work in the operation of the compressor machine.

Therefore I have defined the following two variables to describe the performance curves of the existing compressor (see previous post Part I ):

Q* = Q1 / S * eps-h and H* = Had / (S/1000)2

in which Q*  (say Q-star)   and H* (H-star)  are reduced variables with respect  to the rotation speed ; ‘Q1’ is the suction volumetric flow rate ; ‘S’ the speed of rotation ; ‘Had’ is the adiabatic head developed at speed S and flow rate Q1  and ‘eps-h’ is defined as :

eps-h = Sqrt ( 2/ ( 1 + ( P2 * Z1 * T1) / (P1* Z2 * T2) ) )

in which ‘P2’ is the compressor’s discharge pressure, ‘P1’ the suction absolute pressure, ‘Z1’ the compressibility factor of the gas at suction side, ‘Z2’ the compressibility factor of gas at discharge conditions and T1 and T2 the corresponding absolute temperatures.  The Z factors, the gas compressibility factors, are calculated with the ‘Zv’ correlation published in earlier posts.

The ratio Q1/S, you could say, is the effective volume of inlet gas moved per rotation and ‘eps-h’ is the factor relating inlet gas density to the average gas density between inlet and outlet. The latter you could say accounts for the effect of speed on the average pressure across the machine and hence the average density of gas inside the machine!

The newly defined variable ‘ H* ‘ is calculated from the adiabatic head  ‘Had’  that is in it’s turn is calculated with:

Had = Z1 * R/MW * T1 * k/(k-1) * [ (P2/P1)^( (k-1)/k) -1 ]

The adiabatic Gas Power follows from: Gad = Had * Fm

Please note that the calculation of the adiabatic head ‘Had’ in the above formula used in   the simulation model includes gas compressibility factor Z1 based on the inlet condition conditions and not based on the average of in- and outlet conditions! For more on how these definitions were arrived at and used to make a “finger print” of our compressor machine see previous post with Part I.  

2) Fingerprinting the Characteristic Performance  (Model identification).

The fingerprint is the relationship describing the machine’s essential performance in terms of the reduced variables H*  and  Q*. By plotting all available performance data in terms of H* and Q*, I have found that the three (manufacturer provided)  performance curves (speeds 5870, 7000 and 8330 rev/min) have coalesced into one single curve.  This single relationship between H* and Q*, unique to our machine, has been captured by regression in a quadratic relationship between H* and Q*. It is this curve that defines the unique, fundamental relation between H* and Q*. This relationship I have called the ‘fingerprint’ with as symbol ‘H*fp’. This curve, as shown in the previous post, can be captured by a quadratic equation:

H*fp =  A * (Q*)^2  + B * (Q*)  +  C   ;  for   0.258 =< Q* <= 0.438 ….…..(Eq.2-1)

With the help of this equation the compressor’s H – Q curves can be simulated. In other words with this fingerprint curve ‘H*fp’ a performance map for the original three speeds can be generated including those for interpolated or extrapolated speeds!

In the previous post we drew attention to the fact that all three surge points of the three original performance curves have now been “rolled” into one single point on the fingerprint  ‘H*fp’ curve and that the (original) surge points and line can be reconstructed again from this single point by doing the reduction ‘transformation’ in reverse. In this Part II  more details are given in the following sections on how the single surge point and single choke point can be transformed into surge and choke lines. Detailed equations for the reverse “unpacking” of the one single points on the H*fp curve into for surge and choke lines are given next. (For more details on the ‘fingerprinting’ see Part I).

In the above two sections 1) and 2) we have summarized the model development described in Part I. In the next sections of this Part II  further extensions and developments of the simulation model are given.

3) Describing the Surge Points and Surge Line   

No explicit information on the surge points or surge line in the performance map had been provided by the manufacturer. In the previous post, in Part I,  I had assumed that the first point (lowest volume flow, highest pressure) of each of the three curves provided by the manufacturer was equal- or close to the surge point. In this Part II,  I want to look closer into this. The fingerprint reduced head curve ‘H*fp’  variation with Q* has the shape of an inverted parabola (A is negative).

The operating points with lowest reduced flow rate on the curve are close to the “top” of the parabola while the slope of the curve gets increasingly smaller, i.e.the angle of the tangent line approaching zero degrees at the maximum of the curve.

Therefore I am defining the surge point as the point where the H*fp curve is at its maximum i.e. where the slope equals zero.  The slopes of the H*fp curve can be found :

  d (H*fp)/d(Q*) = 2 A * (Q*) + B   ; hence at surge:  0 = 2A * (Q*surge) + B

       ===>      Q*surge =  – B/ 2A     and     H*fp-surge =  – B^2 / 4A + C

These are the coordinates of the (reduced) surge point on the finger print performance curve.  From these coordinates the surge points of any speed curve can be reconstructed as follows: first we need to calculate what the pressure ratio P2/P1 is under surge conditions for a given speed of rotation ‘S’ as follows :

(a)   Had,surge  = H*fp,surge * ( S/1000)^2 

(b)    (P2/P1),surge = [ Had,surge  * MW / ( Z1 * R * T1 *  k/(k-1)  + 1  ] ^ (k/(k-1))

Note that the other points of the curve are calculated directly the H*fp fingerprint equation.

The actual suction volumetric flow ‘Q1’ at surge can be calculated from :

(c)   Q1,surge = (Q*,surge) * S * 1/eps,surge  

having the calculated (P2/P1),surge value, now the factor  1/eps,surge  can  be calculated as:

 (d)           1/eps,surge  = ( ½  +  ½ * (P2/P1)^(1/k) * Z1/ Z2 )^0.5

in which ‘Z2’ can be calculated iteratively (simple substitution) as is done for the simulation calculations of other points on the curve.  Note that the last equation (d) includes already the adiabatic temperature ‘T2’ calculation.

These calculations (a) to (d) have been implemented in the upgraded Centrifugal Compressor Simulation spread sheet. In Section 10 a copy of the worksheet Part 2 (B)-2 is shown.

 Note: Having defined the surge point and determined its coordinates on the compressor’s “fingerprint” performance map (plotted in reduced variables H* and Q*) we can now  describe the H*fp quadratic equation in an alternative way using these coordinates: 

 H*fp = H*surge – (A”) * (Q* – Q*surge )^2

in which A” = -1 * A   ; and when  inserting the numerical values of the surge coordinates we get:

H*fp = 0.92760 – 7.5914 * (Q* – 0.24 )^2   

 4) Describing the Choke Points and Choke Line 

No explicit information on the choke points or choke line was divulged by the manufacturer either!  What do we know about ‘Choke’ ? The word itself already is very suggestive, you choke when you are overwhelmed by food or drink and cannot swallow it any more. That happens to a centrifugal compressor too when at a given speed and operating point (discharge pressure, volume flow rate) you start to increase the feed rate to the machine more and more. As the feed rate increases the outlet pressure drops (following the curve). At a certain high feed rate the outlet pressure starts to drop more steeply while the ability to process the increases in feed rate diminishes strongly until the outlet pressure falls to a dramatically low value while the feed rate cannot be increased anymore: it appears as if the operation has run into a stone wall.

Why does this happen? An impeller increases the velocities of the gas flowing through it by the centrifugal forces acting on it. The velocities of the gas reach their highest value at the exit perimeter rim of the impeller. The compressor is designed for a given operating point of speed, feed rate and discharge pressure with the rotor and stator geometrically shaped to have their maximum energetic efficiency point, or in other words to have a minimum of energetic losses at that design operating speed and for that given gas quality. By more and more increasing the feed rate the internal gas velocities across the impellers consequently increase more too! The velocity increase is more prominent as the operating point moves along the curve towards lower outlet pressures and higher temperatures. When a point along the flow path inside the machine has reached locally (likely the exit of one of the impellers) a gas velocity approaching the speed of sound of the particular gas, the “sound barrier” is being reached. The velocity of sound cannot be exceeded! The choking point has been reached! 

(as an aside here: it is interesting to note how tech- people view and see their equipment / devices they are working with: they ascribe ‘life’ to it, see it like a living thing!  it can make surging, regurgitating sounds ; it can choke on what it is fed etc   perhaps you can find more examples of similar sayings ?)

To be able to evaluate where our compressor’s operating point is with respect to the choke point or choke line we would need to look at the internal velocities, however without detailed info of the internal machine dimensions that is impossible. We can however calculate what the discharge internal volumetric flow rate Q2 is for a given operating point on the curve. Our model allows us to calculate the gas density Rho2 at discharge Pressure P2  and hence:

Q2 = Fmass/ Rho2  = Q1 * Rho1 /Rho2

When we calculate Q2 for all three curves provided by the manufacturer we can see an interesting picture emerge: for each of the three curves the first point indicates that Q2 equals about 0.25 m3/s, then for the next points along the curve Q2 gradually increases while the last points provided show the volume flow rates of the compressed gas Q2 are approaching a value of about 0.5 m3/s irrespective of speed and discharge pressure (P2) level generated. To be precise  for the last point of the speed curve at 7000 rev/min we see Q2 reaches 0.50 m3/s ; for 8330 rev/min Q2 reaches 0.56 m3/s  while for 5870 rev/min the last point (of only five) reaches 0.43 m3/s.  

These observations all hint, in my mind, to the conclusion that all the last points on the manufacturer’s curves are approaching a limiting value for the Q2 volume flow rate. Without detailed construction data we cannot ascertain or estimate the corresponding highest velocities values, but we can nevertheless do an order of magnitude check using the apparently converging Q2 flow rate value of 0.56 m3/s  and the fact that the speed of sound in propane at 20 Bar is around 250 m/s (see later post for this).

The last points provided by the manufacturer likely (I am speculating) are the nearest  points closest to their choke points that can be safely operated.

Therefore for our modeling purposes I am defining the Choke point as the last point on the H*fp curve at that point the Q* value equals 0.440 (rounded value).  

From this defining value of Q*,choke  =0.440   we find   H*fp ,choke =  0.62389 . This value simply follows from calculation with the fingerprint equation H*fp (section 2).

These two values are the coordinates of the (reduced)  Choke Point.  From these coordinates the choke points of any speed curve can be reconstructed (and hence the Choke Line) in the same way as described in Section 3 for the Surge Point and Line with equations (a) to (d).  

5) Thoughts on the Shape and Slope of the Finger Print  ‘H*fp’ Curve   

In the above discussion of the surge point and the choke point I have referred to the shape and the slope of the performance curves and in particular to the essential,  reduced performance curve that I have called the “fingerprint” curve “H*fp ”. For example we have defined the surge point as the point where the H*fp  curve reaches its  maximum value i.e. when the slope of the tangent line to the curve approaches a value of zero, i.e. the tangent line running parallel to the Q* axis ( its angle = 0).  It is interesting to note that the slope and angle of the tangent line in the (manufacture’s given) first point on the curve has an angle of minus 16 degrees. The initial part of the curve between the newly defined surge point and this first point is hence rather ‘flat’. From a control point of view it means that a small change in the reduced head H* is associated with a much larger change in Q* value and therefore small disturbances in head caused by small, frequent variations in rotation, pressures, temperatures, gas quality – process and equipment noise – cause much larger changes in Q* and hence the  compressor operating in this part of the curve cannot “find“ and “settle” on a single, fixed operating point causing  instabilities in the operation and these maybe the precursors to surging conditions. (see Chart given below).   

In the discussion of the choke point we referred to the fact that when this point is reached during the operation of a ‘campaign’ (or a test) of ‘pushing’ the feed rate as high as possible, the outlet pressure drops,  the performance curve sharply bends into a line at a 90 degree angle to the flow axis (the stone wall).

It is interesting therefore to look closer at the shape and slope of the performance curve. The performance maps as presented in previous Charts of Part I can be somewhat deceiving as they look rather “flat” because of the different scales at which they are plotted! Let us examine how the slope of the ‘fingerprint curve H*fp’  varies with Q* .  The ‘slope’ = 2A * (Q*) + B    and the angle of the tangent line in degrees  = 180/pi * ATAN (slope).

In the following Chart I have plotted the H*fp equation versus Q* at equal scales so as to have a proper impression of the steepness of the performance curve. In addition also the Surge – and Choke points (as defined) are shown together with a number points marked with the angles of their tangent lines.

Fingerprint H – Q Performance drawn at equal scales plus Surge and Choke points

Diagram-1  Fingerprint H*fp versus reduced Inlet Volumetric Flow rate Q* drawn at equal scales.

The Diagram shows for three of the 12 points the angles of their tangent lines, whereas on the right hand side of the Chart the coordinates of surge – and choke points are given.

Note that the fingerprint  performance curve at our defined choke point is sloped downwards at angle of nearly -72 degrees!  That fact also has implications for controlling the compressor operation. Is the initial part of the curve close to the surge point nearly ‘flat’, for the end part we find the curve gets rather steep where small variations (this time ) in Q* have a much larger effect on H*  and hence instabilities here also play a larger role in the operation.

Furthermore note also : To study the effect of making a potential change in the whole suction and discharge piping system of which the compressor is part, for example to save on energy consumption by the compressor, the ”system pressure loss- or resistance curve” needs to be drawn and examined in this reduced performance diagram. In particular it is the intersection of these two curves that determine the operating point of the compressor. It is the angle between these two curves that needs to be looked at vis a vis the controllability.

6) The GasPower ‘Gad’ and the unified ‘G*ad’ ‘fingerprint curve’.     

The Adiabatic Gas Power ‘Gad’ required to perform the adiabatic compression of the gas in our machine follows straight forwardly from the model calculations as summarized in Section 1 and further detailed in Part I in the previous post!

The Adiabatic Gas Power ‘Gad’ at a given operating point on the curve follows directly from the adiabatic compression calculations: it is simply the product of the mass flow rate and the adiabatic head ‘Had’

 Gad = Had * Fm           ( kW = kJ / kg *  kg / s ) …………………………(Eq.6-1)

We can express this relation also in terms of the two new variables, the reduced head H* and the reduced inlet volume flow rate Q* that we introduced to find the machine’s fingerprint relation H*fp, which is the essential speed independent relation between the adiabatic head H* and the inlet volume flow Q*  for our existing compressor machine under study.

Remembering that we defined as H* = Had / (S/1000)^2  and as Q* = Q1 / S * eps-h  and that the mass flow is Fm = Rho1 * Q1  ; we  can re write Eq.6-1 as :    

 Gad =  (H*) * (S/1000)^2  * Rho1 * (Q*) * S / eps-h ………………..(Eq.6-1a)

Note that in our definitions of H* and Q* we have kept the following units:

Had is expressed in kJ/kg , Q1 in m3/hour and S in rev/min and Rho1 in kg/m3 in order to obtain values for H* and Q* between 0 and 1 .

Hence to keep the units of the right hand side of the equation Eq.6.1-a consistent with the left hand side (kWatt) and to avoid dealing with large numbers like S^3 , additional constants have to be introduced and next after rearranging the expression becomes:

 Gad = (H*) * (Q*) * (S/1000)^3 * 1000/3600 * Rho1 /eps-h …………(Eq.6-2)

This equation relates the adiabatic Gas Power, Gad, for a given operating point with the specific values of the reduced adiabatic head H* and the reduced volume flow Q* for that particular operating point.

By Defining  G*ad (say Gad-star) as the reduced Adiabatic Gas Power  as follows:

 G*ad  =  Gad / (S/1000)^3 /Rho1 * 3.6 * eps-h ……………………….(Eq.6-3)  

We can simply write the relationship between adiabatic gas power, the head and flow in terms of three reduced variables in a form analogous to the original equation Eq.6-1 as follows:

G*ad = (H*) * (Q*)  ……………………………………………………….(Eq.6-4)           

This equation is also valid for any operating point!

We have found that for this compressor there is an essential , speed independent relation we called the “fingerprint reduced adiabatic head” with as symbol: ‘H*fp’  characterizing our compressor:

H*fp = A * (Q*)^2  + B * (Q*)  + C  …………………………See  (Eq.2-1)

Substituting H*fp  in Eq.6-4  gives us the essential , speed independent , reduced adiabatic gaspower fingerprint relation that we will symbolize with ‘G*adfp’ and can bewritten as:

 G*adfp = H*fp * (Q*)  …………………………………………………….(Eq.6-5)

Alternatively as

G*adfp = [ A*(Q*)^2 + B*(Q*) + C ] * (Q*)  …………………………… ..(Eq.65a)

From this we learn that Gad is a function of the third power of the speed and the third power in Q* (as polynomial) as well !  

We have seen that the H*fp expression alternatively can be written as:

H*fp = H*surge – (A”) * (Q* – Q*surge )^2

In which ‘H*surge’ and ‘Q*surge’ are the coordinates of the surge point in the H* – Q* diagram. With this alternate H*fp expression we can also write this relation in an equivalent but more insightful form:

      G*ad = [ H*surge – (A”) * (Q*-Q*surge)^2  ]  * (Q*)     

With these relations between the three reduced variables, G*ad, H* and Q*  we have extended the H*fp equation into the reduced adiabatic Gas Power relationship. The H*fp equation is based on a regression correlation of H* – Q* values obtained from the adiabatic compression calculations (see ‘Part I’ in previous post).

Hence the G*ad relation is the unique fingerprint of the adiabatic gas power requirement of our machine to obtain the achieved compression performance.

The values of Gad follow directly from the Had and Fm values generated by the model

and thus if we plot the G*ad relation versus  Q* and co-plot the directly calculated Gad values for all three speeds for all 25  points and they should all fall at – or very close to  the G*ad fingerprint curve ! See next Diagram.

Reduced Gaspower G*ad versus reduced volumetric inle Flow rate Q*

Diagram-2  The reduced Adiabatic Gas Power “ G*ad ” versus the reduced Inlet Volumetric Flow rate Q*. 

To summarize : in this section 6 I have extended the adiabatic compression sub-model by  defining  the reduced Gas power G*ad. This reduced variable relates directly to the reduced Head ‘H*’ and the reduced flow rate ‘Q*’.   

  7) The Shaft Power ‘Ps’ and the Adiabatic Efficiency Factor ‘Eta-ad’.        

The shaft power to drive the compressor is in part consumed by the production of increased outlet pressures, being the adiabatic gas power Gad part, and the remainder by “energetic losses” incurred through concurrent loss processes. 

Now we do have a theory to describe the adiabatic gas power part, as used in our model, there is however no straightforward single piece of theory to describe the “loss” part.

There are many contributors adding to – and factoring into these energetic losses in their totality. I will come back to these in the next section 8-1.

The Gas Power required to perform the adiabatic compression of the flowing gas in our machine follows straight forwardly from the model calculations as already summarized in Section 1 and further detailed in Part I in the previous post and further “extended” in section 6 of this PART II.

In our earlier analysis of the existing compressor’s performance as given in Part I we have related our theoretical calculation of ‘Gad’ to the actual required total shaft power, data that the manufacturer provided, by means of the Adiabatic Efficiency Factor “Eta-ad”. Once this factor is known the shaft power can be calculated as:

 Ps =  Gad / Eta-ad.     (units: kW = kW / (–)  )   …………………..…………(Eq.7-1)

‘Eta-ad’ is here the sole factor, the key to arriving at the total required shaft power to drive the compressor. This factor in one single number wraps the gas power and all the contributing flow resistances and their corresponding power losses into a single number!     

No single piece of theory exists, as far as I am aware of, to predict the extent of the sum-total of these losses, although through the decades over time empirical or semi-empirical correlations of contributing factors have been developed to be able  to estimate a part of these losses. The capability to predict such losses is important in particular from the compressor designer’s perspective.

Therefore through ‘looking’ at the model‘s data and the manufacturers shaft power numbers,  through trial and error I found , as described in Part I , a correlation for the adiabatic efficiency factor ‘Eta-ad’ and how it relates to the flow variable I had defined as ‘Q* ’ as follows:

Eta-ad * (S/1000)^0.39  / (Q1/S)  =  A * (Q*)  +  B      ………………………(eq.7-2)

in which the constants are:   A= – 8.4625 and B = 6.082

This correlation allows the total shaft power ‘Ps’ to be calculated from ‘Gad’ with an average percentage error of 0.67%!! Not bad!  See Part I showing a Diagram where the predicted shaft power and the manufacturers quoted shaft power numbers are co-plotted to compare them in a visual way.

This “powerful” correlation I found, remarkable though it is, is only strictly valid for this compressor machine, the vscCR-01, to use as predictor!  It is a correlation of connected variables that influence each other, however it does not reveal much insight into the scope and limitations of the application- and use of this equation. Therefore if you are going to apply this correlation in the simulation of your compressor beware and be cautious.

It is for this very reason that in this PART II, that I have taken a closer look, attempting to find other ways to calculate the total shaft power requirement ‘Ps’ by focusing directly on the power losses themselves in order to get a better ‘feel’ and more insight through developing a relationship for these losses with the operating parameters and variables of the compressor. This is dealt with in the next section 8.

8)  Fingerprinting the Overall  Power – Loss Process(es)

 8.1  Determination of the losses during operation of compressor  “vscCR-01” .

Energetic losses in a compressor are due to ‘flow resistances’ present along the path-way a gas follows through the machine. Both the stator and the rotor part contribute to the losses. The impeller, it’s geometric shaping and dimensioning, plays a major role in the generation of losses. Study and research over the decades have identified various types of resistances contributing to the overall loss of power experienced. Losses such as “incidence loss”, impeller “skin friction losses” and many more! Such detailed account of loss factors and how to describe these and how to calculate these in detail are of prominent importance to compressor designers and manufacturers, witness the large amount of studies published devoted to this subject.

From our perspective the question is can we find a description of how the overall, the sum-total of all these loss factors, relates to the adiabatic gas power production in vscCR-1 and how it figures into the total shaft power requirement to drive the compressor.

In PART I we have described the approach taken to formulate a Model of this variable speed compressor vscCR01.  The Simulation Model conceptualizes the variable speed compressor, shown in the block diagram 4 of Part I, as consisting of two processes occurring side by side: the adiabatic compression process and a “loss process”. This implies that the total shaft power is the sum of the gas power plus the power consumption by the ‘loss processes. The ‘Power Loss’ part hence can be directly calculated from the Manufacturer’s quoted shaft power ‘Ps’ (in kW) and the adiabatic gas power ‘Gad’ calculated with our adiabatic compression sub-model:

Ps,loss =  Ps –  Gad     (all expressed in kW)     ………..………………..(Eq.8-1)

Let us picture how these losses look by calculating for each of the three speeds the power losses and plot these against the suction volumetric flow rate: (click on picture to enlarge):

Shaft Power Loss for three speeds of compressor vscCR-01

Diagram-3 The Power Loss ‘Ps,loss’ versus inlet Volumetric Flow rate ‘Q1’

The graph shows the higher the inlet flow rate for a given speed the steeper the rise in ‘Ps,loss’ ;  i.e. in the part of the total shaft power that is not converted into a pressure rise but in a temperature rise! The highest speed curve shows the power loss rise rather dramatically! One thing worth noting in the graph is that the first part of each loss curve is rather flat! I will come back to the significance of this observation in a future post (effect of combined incidence and friction losses)!

Next let us focus on the 8330 rev/min speed curve in detail and see how it’s (total) shaft power, adiabatic gas power and the power loss behave when shown in one single  graph (click on picture to enlarge):

Shaft Power Gas Power and Power Loss for speed 8033 rpm versus Inlet Volumetric Flow rate

Diagram-4  Compressor Shaft Power , Adiabatic Gas Power and Power Loss versus  Inlet Volumetric Flow  rate ‘Q1’.

The total shaft power, not unexpectedly, increases with increasing volume flow rate. The curves for the two concurrent processes: the adiabatic compression and the power loss process(es) show a very interesting pattern: their curves look like they are each other’s mirror image!  And that is no coincidence as I will show later. Similar pictures are found for the two other speeds.   

8.2  Pressure Loss and Power Loss

Therefore let us examine closer the losses at a constant speed of rotation. Power added to the shaft that is “lost” towards the ultimate purpose of the machine to raise the pressure of the gas exit stream, is a loss of pressure (increase) not achieved. The term “pressure losses” is a familiar one in the context of hydraulic flow systems and engineering science.  Thus let us start with the most well known and used semi-empirical relation to describe pressure losses across a ‘conduit’ carrying a fluid flow to aid  in analyzing the “overall’ losses: 

Delta P = K * ½ * Rho *  v ^2        ………………………………………..(Eq.8-2)        

In which ‘Delta P’ is the pressure difference along the conduit and in which “K” is a factor characterizing the total resistance to flow through the conduit. ‘Rho’ is the fluid density and ‘v’ the average velocity.  (Note f = Fanning friction factor and 4f the Moody friction factor for pipe flow; see principles described in a future post).

In our case ‘P2’ and ‘P1’ are the compressor discharge and inlet pressures respectively; the density ‘Rho’ is not constant as we are dealing with a compressible gas flow and as we have elaborated in section 3.2 and 3.3 of PART I,  equation eq.8-2  takes the following form:

Delta P = K * ½ * 1/ Rhoavg * (Fm/ Ac)^2    ; or:

P2 – P1 = DeltaP  = K / Ac^2 * ½ * Q1^2 * Rho1^2 / Rhoavg

in which ‘Ac’ is the average cross-sectional area and ‘Rho1’ is the gas density at the inlet;  ‘Rhoavg’ is the (algebraic) average density inside the machine over in- and outlet and ‘Fm’ the mass flow rate and Q1 is the inlet volumetric flow rate.

Note 1: the dimension of Pressure [P1] and [P2] = N/m^2 or Nm / m^3.

Note 2: the pressure difference here has a negative sign see comments in future post.  

If we divide both sides by ‘Rho1’ the left hand side obtains the dimension of Nm /kg or Joule/kg and we get:

(P2 – P1) /Rho1 = K / Ac^2 * ½ * Q1^2 * Rho1 /Rhoavg

In PART I we have defined the ratio Rho1 /Rhoavg as “eps-h^2” and thus: 

 (P2-P1) /Rho1 = K / Ac^2 * ½ * (Q1*eps-h)^2  ……………………………(Eq.8-3)

The power required to drive the flow of fluid through the resistance formed by the shape and size of the conduit, we find by multiplying with the mass flow ‘Fm’ in kg/s

(P2-P1)/Rho1 * Fm  = K / Ac^2 * ½ * ( Q1* eps-h )^2 * Fm

The left hand side is the power (loss) in Watts.

By analogy we are now applying this relation to the overall power losses generated by all the resistances posed to the gas flowing through the internals of the compressor or more precisely said: while being driven by the centrifugal forces via the diffuser to the discharge. Granted, the “conduit”, the ‘flow-channel’ through which the gas is passing from inlet to discharge is of complex form and shape for sure! Nevertheless, we equate the overall power loss “Ps, loss” in the compressor with the right hand side of the equation:

Ps,loss =  K / Ac^2 * ½ * ( Q1*eps-h )^2 * Fm  ……………………………..(Eq.8-4)

Note1: Let us check dimensions when expressing in SI units: Watt = J/sec  =  (—) / m2 *  (m3/sec)^2 * kg/sec kgm/sec^2  

Note2: “Ps” is the total shaft power to operate the compressor; Ps,loss the part of Ps consumed by overcoming resistances to flow and converted into heat. The factor ‘K’ is the sum-total of all contributing resistance factors and is applied here analogous to the ‘accounting’ of resistances as is done in the ‘theory and practice’ of hydraulic systems, for instance liquids flowing through a piping system, consisting of a straight long pipe fitted with a series of different “fittings” like pipe bends, pipe diameter changes, valves, orifices and so on.  The additional flow resistances that these fittings add to the total have been (semi-) empirically measured and determined and can be added to the value of ‘K’. An interesting piece of information is the fact that in hydraulic systems the factor ‘K’ is not constant, even after the accounting for the configuration of the conduit carrying the flow, but is still dependent on the mass flow rate. For example for turbulent flow through smooth long circular pipes H. Blasius found that the “friction factor” depends on the Reynolds number as follows:

“friction factor” =    Constant / Re^1/4     for turbulent flow  4000  < Re < 10^5

Noteworthy is the inverse relation ship with flow rate as indicated by the inverse Reynolds number, meaning the higher the flow rate the lower the friction factor!

In the further development of equation 8-4 we should keep in mind that the factor ‘K’ itself may be a function of flow rate (volume or mass or reduced volume flow rate Q*).

8.3  Characterizing  the  Overall Loss Process(es)

For centrifugal compressors the different resistances adding to the overall resistance to flow are many and complex and have been studied and used in the design of compressors in order to minimize energy losses at the required – design – operating point.  As said we will keep to the user’s perspective in our analysis not the designer’s perspective and try not ‘zoom’ too much into the detailed individual loss contributors but keep the focus on the overall losses.

The adiabatic compression theoretical part of the Compressor Simulation Model calculates the adiabatic head, equal to the difference in enthalpy of the gas between inlet and discharge, at constant entropy. The adiabatic head ‘Had’ is expressed, like enthalpy, in kiloJoule per kilogram of gas.  

To analyze the loss process and fingerprint the essential, characteristic of the (overall) loss process we should therefore similarly look at the power loss per kg of gas!

Let us see if and how the last diagram (Diagram-4) changes if we now plot ‘Had’ together with ‘Ps,loss’ and ‘Ps’ the latter both now expressed on a ‘kJ/kg’ basis by calculation of ‘Ps,loss’ divided by the mass flow rate ‘Fm’ and do the same for ‘Ps’. Plotting these three versus mass flow rate ‘Fm’ for the highest speed of 8330 rpm and as shown in the next Diagram-5  (click on Chart to enlarge):      

Ps,loss / Fm and Had Ps /Fm for 8330 rpm versus Mass Flow rate

Diagram-5   ‘Ps,loss/ Fm’ and ‘Had’ and  ‘Ps/ Fm’ versus Mass Flow rate ‘Fm’.

Looking at this graph immediately the steady, nearly linear decrease of the shaft power divided by the mass flow rate jumps out! But just as striking is the fact that the “mirroring” of the adiabatic head curve with the curve of the power loss over mass flow rate has become even more pronounced and clearer!

‘8.4  New reduced variable “ H*,loss ” +  Fingerprinting the Overall Loss Process.

In the following we are searching, with the help of the last equation Eq.8-4, for insight into how the losses relate to the operating conditions of flow, speed and pressure. Can we probe into these losses (without having construction details of internals) by analyzing the operating data in the same manner as done for the performance curves and adiabatic gas power modeling? And the answer is yes!  How?  By trying to find the unique relationship describing the losses, a unified, “fingerprint” relation for the overall resistance factor “K” that according to Eq.8-4 lies at the core of the overall loss phenomena exhibited by this compressor. 

Let’s express the power loss in kJ/kg by taking Eq.8-4 and dividing both sides by the mass flow rate ‘Fm’ and we get:

Ps,loss / Fm =  K / Ac^2 * ½ * ( Q1 * eps-h)^2

Note: the dimension of the left hand side:  kW /(kg/s) = kJ/kg. 

If in analogy with our definition of the reduced adiabatic head H* = Had /(S/1000)^2 , with units in kJ/kg/ (rev/min)^2 , we again divide both sides but this time by (S/1000)^2  we get: 

Ps,loss / Fm / (S/1000)^2  = K / Ac^2 * ½ * ( Q1 * eps-h )^2 / (S/1000)^2

and remembering and including the definition of Q*  and rearranging we get :

Ps,loss / Fm / (S/1000)^2  =1E+6 * K / Ac^2 * ½ * ( Q* )^2  ………….…..(Eq.8-5)

On the left hand side we have the energetic losses expressed as a new reduced variable with on the right hand side an expression involving the reduced volume flow rate Q*.

Therefore I am defining the left hand side of Eq.8-5  as  “H*loss” . Thus we can write:

 H*loss = Ps,loss/Fm/(S/1000)^2 = 1E+6 * K / Ac^2 * ½ * (Q*)^2   ………(Eq.8-6)

The question now is does this equation describe the power losses shown in the first Diagram of ‘Ps,loss’ versus inlet volumetric flow rate Q1?  If indeed the factor ‘K’ , the overall resistance factor to flow, is a constant then the answer should be yes, because we have here the essential relationship of energetic losses with the square of the reduced flow rate.

This means that if for all three speeds and all points we plot the left hand side, ‘H*loss’ versus Q* we should get all data points to ‘coalesce’ into a single line!

Therefore I have plotted the left hand side for all 25 data points against Q* and found, as you can see in the next Diagram-6, that the points show some ‘aggregation’ into a sort of band but not as a clear single line as the next Diagram shows: 

Ps,loss /Fm/(S/1000)^2 versus reduced Volumetric inlet Flow rate Q* for 3 speeds

Diagram-6   ‘Ps,loss/Fm/(S/1000)^2’ versus reduced Inlet Volume Flow rate ‘Q* ’ for 3 speeds.

The points nevertheless show a definite trend: the higher the reduced flow rate the lower the value of the resistance factor ‘K’.  When performing a regression on this scattered band only low r^2 correlation values are obtained (see Diagram-6).    

Next, then tried plotting the ‘K’ values versus the inlet volumetric flow ‘Q1’ and following this plot next I made yet another plot against the mass flow rate. Both these plots (not shown here) displayed three distinctly separate lines for each of the speeds, with no aggregation, no banding, no coalescing of points into a single line, no unification. Now what to do?

Then remembering the possibility of ‘K’ not being a true constant!  Furthermore remembering that even for a simple geometric shape like a straight circular pipe the overall resistance factor ‘K’ is not constant and still shows some dependency on mass flow rate. Therefore, with the “complex form and shape” of the gas flow channel (an understatement) present in our compressor we should check how ‘K’ in equation Eq.8-6 behaves!  So let us see if indeed ‘K’ varies with ‘Q*’ and if so how. In the next Diagram I am plotting ‘K’ versus Q*.  With ‘K’ based on Eq.8-6  as:

K =  H*loss /(Q*)^2 = Ps,loss / Fm / (S/1000)^2 / (Q*)^2  * 2E-6  * Ac^2   ….(Eq.8-7)

Ignoring for the moment the factors 1E-6 * 2 * Ac^2 as truly constant then calculating the values of ‘K’ for all 25 data points (three speeds) and plotting these against ‘Q*’.  I found these points form a much narrower a band.  Then next through trial and error I found that all data points could be found forming a single line if plotted against the following expression: “ 1/ (Q*) * eps-h^0.44  “ as the following graph shows:

Fingerprinting the Flow Resistance Kfp for compressor vscCR-01

Diagram-7  Fingerprinting the flow resistance K*fp  for compressor ‘vscCR-01’.

This Diagram shows that the overall flow resistance factor ‘K’ characterizing compressor ‘vscCR-01’ is inversely related to the reduced flow rate Q*. In other words the higher the flow-rate through the compressor the lower the overall resistance factor becomes. And as we have seen before, this is not unlike the relationship in hydraulic systems like the one quoted except here the inverse relationship is much more pronounced. As shown in the Diagram-7 the resistance factor values plotted are very well described by the following quadratic equation:

 overall resistance factor K  =  A * x^2 + B * x + C  ……………………. (Eq.8-8)

in which x = 1/(Q*) * eps-h^0.44  ;  and  A = 2.2731  ;  B = -8.2188  ;  C = 9.4235

The bold symbol K is a re-definition of  ‘K’ of  Eq.8-7 to include the factor Ac, being the inverse of the cross sectional area averaged over the flow path, and the conversion factors related to the units employed in this equation: kilo Watts, mass-flow in kg/sec and speed in rev/min instead of Watt, kg/hr, rev/sec or radians/sec.

This quadratic relationship of K with Q* is the essential, overall resistance “fingerprint” function describing how  the overall resistance posed to the gas flowing through the internals of the compressor during the operation of ‘vscCR01’ varies with the reduced inlet volume flow rate, while being independent of speed. I will refer to this relation of K (Q*) with the symbol “K*fp ”  :

K*fp  =  A * (eps-h^0.44 / (Q*)  )^2 + B * (eps-h^0.44 / (Q*)  ) + C …..…. (Eq.8-9)        

With the constants A, B and C as given before in Eq.8-8.

The reduced loss ‘H*loss’ of Eq.8-6 can now be compactly written in reduced variables as:

 H*loss =  (K*fp) * (Q*)^2 ……………………………………………….……..(Eq.8-10)

With the help of equation Eq.8-9 the power loss ‘Ps,loss’ then is calculated as: 

 Ps,loss = (K*fp) * (Q*)^2 * Fm * (S/1000)^2    ………………………………(Eq.8-11)

Note that ‘Ps,loss’ is in kW  if ‘Fm’ is expressed in kg/sec and ‘S’ in rev/min).

With Eq. 8-11 and the resistance fingerprint Eq. 8-9 we should be able to predict the shaft power losses, i.e. that part of the shaft power not converted into a gas pressure rise but instead converted into a temperature rise !

‘8.5  Predicting the PowerLoss  ‘Ps,loss’  

Taking the combination of equations Eq.8-9 and Eq.8-11 and calculating the values for Ps,loss as function of Q*. This combination gives the following ‘working” equation :

P2,loss =(2.2731*  X^2 -8.1128 * X +9.4235) * (Q*)^2  * (S/1000)^2  * Fm ..…(Eq.8-12)

In which  “X” stands for  eps-h^0.44 / (Q*)

  The following Diagram shows these predicted power loss calculated values versus the corresponding inlet volume flowrate ‘Q1’ , together with the co-plotted  power loss values directly calculated from the Manufacturer’s quoted shaft power minus the adiabatic Gas Power values. (click on chart to enlarge):

Diagram-8  Predicted Power Loss compared with Actuals for Compressor “vscCR-01”.

To be precise: the overall average percentage error between predicted and actual loss data were calculated to be equal to 1.4 % ! 

Worth noting are the alternate ways in which Eq.8-11 can be written:

 Ps,loss / Fm  = (K*fp)* (Q* )^2  * (S/1000)^2 ……………………………..(Eq.8-11a)

In this equation the term ‘Ps,loss/Fm’ can be interpreted as the enthalpy difference ‘DeltaH’ associated with the energy being converted into heat as a result of loss processes during compressor operation!  

DeltaH,loss / (S/1000)^2 =  K * (Q* )^2   ……………………………….……(Eq.8-11b)

Note in Eq.8-11b  the analogy with the reduced adiabatic head  ‘H*’,

being H* = Had /(S/1000)^2 , and further note that  eq.8-11 can also be written as:

Ps,loss  =  (K*fp) * (Q1)^3 * eps-h^2 * Rho1 * 1E-6  ….……………………(Eq.8-11c)

Here we see the dependence on the third power of the inlet volumetric flow rate!

9) Predicting the Shaft Power ‘Ps’ in the Simulation of “vscCR-01”

To simulate the total required shaft power ‘Ps’ we now can use the predictive Eq.8-11 to calculate the ‘Ps,loss’ values and add these to the adiabatic gas power ‘Gad’ to obtain  the required shaft power ‘Ps’. The resulting values when compared with the Manufacturer’s quoted shaft power numbers show an average percentage error of 0.41 % !  Comparing this percentage error with the error obtained for the shaft power predictions by means of the adiabatic efficiency correlation of  Eq.7-1 a clear distinct improvement is achieved and not only that, we have found a description that provides some more insight into the overall loss process in addition! Thus:

Ps = Gad + Ps,loss     and with Eq.8-11  we get

Ps = Had * Fm + (K*fp)* (Q*)^2 * Fm * (S/1000)^2 

or alternatively written in reduced variables

Ps = (H* + H*loss) * Fm * (S/1000)^2    

Note: If we Introduce the reduced total shaft power requirement as a new variable with the following symbol P*s,tot that is equal to Ps/Fm/(S/1000)^2 , we can formulate the compressor ‘s total shaft power simply with the three reduced variables as follows :

P*s tot = H* + H*loss ………………………………………(8-13)

The simulated shaft power for compressor ‘vscCR-01’ can now be co-plotted together with the actual Manufacturer’s quoted shaft power numbers as follows :  

Simulated and Actual Shaft Power requirements for Compressor vscCR-01

Diagram-9  Simulated and Actual Shaft Power for Compressor “vscCR-01” compared. Note the surge- and choke points and lines drawn in this diagram as discussed in section 3 and 4.

Even though we do not need the Adiabatic Efficiency Factor anymore to be able to simulate the required shaft power ‘Ps’ it is interesting to see what the adiabatic efficiency factors are when we calculate these with the help of the newly developed loss (sub)-model equations as follows:

Eta-ad =   Gad / ( Gad + Ps,loss)

The following Diagram shows the adiabatic efficiency factors calculated entirely from the Simulation Model and in the following Diagram is plotted side by side with efficiency factors calculated from the manufacturer’s quoted total shaft power and the model’s adiabatic Gas Power :

Simulated Adiabatic Efficiencies and Actual compared

Diagram-10  Simulated and Actual Adiabatic Efficiencies compared.

10) Upgrading the Compressor Simulation Excel Spreadsheet 

The entire simulation can be carried out on a single worksheet of an Excel spreadsheet. Images of the upgraded Excel worksheet are presented here. The worksheet has been organized in three sections on the same worksheet as follows.

Part 1: Input data : compressor Performance data ; Gas Quality data   

Part 2 (A): Analyzing the Manufacturers data: calculation of Q* and H*

Part 2 (B) -1: ‘Fingerprinting’ the Performance Curves : H*fp  

Part 2 (B) -2:  Determination of the Surge – and Choke Points and Lines

Part 3: Simulation of Compressor vscCR-01 including inter- and extrapolated speeds (7800 and 8800 rpm); The calculation of Discharge Pressure; Pressure Ratio; Adiabatic Head; Gas Power; Power-Loss; Required total shaft power Ps and more.

Worksheet Part 2a Calculation of reduced variables H* and Q*

Diagram-11  Analyzing the Manufacturer’s data: calculation of H* and Q*  

Fingerprinting the H -Q curves with reduced variables H* and Q*

Diagram-12  Fingerprinting the H – Q curves : determine H*fp ; plus reconstructing the surge points and choke points and lines.

Simulation compressor for 3 speeds plus inter and extrapolated ones

Diagram-13  Copy of Worksheet image with the Simulation of Compressor “vscCR-01” performance curves for five speeds including interpolated and extrapolated speeds.

Note that this part of the spreadsheet shows the shaft power calculation with the original correlation of Eta-ad (shown at the top of worksheet image). The power loss calculations as explained in this document in section 8, and calculated with equation Eq.8-12 of sectio 8-5 ,  are performed on a separate part of the worksheet not shown here.

The Simulated discharge pressures shown in Diagram 13 have been plotted in the next Diagram-14.

Simulated and Manufacturer’s Discharge Pressure Performance Curves 5 speeds

Diagram-14  Simulated and Manufacturer’s Discharge Pressures for Centrifugal Compressor “vscCR-01” for 5 speeds. Note the Surge line as defined in Section 3 and the Choke Line as in Section 4.

Comparing Simulated and Actual Compressor Shaft Power Power for 5 speeds including inter- and extrapolated ones

Diagram-15  Simulated and Manufacturer’s  Shaft Power of Compressor “vscCR-01” for 5 speeds.

A final Note : The presented spreadsheet Simulation Model of variable speed CompressoR “vscCR-01” and its calculation of intermediary and final calculations results, shown in Diagram-13, allows many other graphs and different types of Performance Maps to be plotted easily, Diagram 14 and 15 are two of the examples.        

End Post ————– ——————September 2023

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The Saturation Lines  in Gas Compressibility Factor ‘Z’ Charts.

In a Gas Compressibility Chart for sub-critical pressures of a pure compound, the compressibility factor ”Z” is shown as a function of the reduced pressure “Pr” for various isotherms, i.e. constant reduced temperatures (“Tr”). In addition such Chart may show the ‘Saturation Lines’ that mark the boundaries of the “Vapor – Liquid Region” in the “Z – Pr” Chart. In this region are vapor and liquid in mutual equilibrium, i.e. co-existing in a saturated state.   

The ‘saturation lines’, consisting of the ‘vapor saturation line’ and the ‘liquid saturation line’,  join together at the critical point where the distinction between liquid and vapor disappears and a single ‘dense fluid’ phase is formed. The saturation lines, circumscribing the “V-L” region, divide the entire chart into three areas: above the vapor-liquid region one finds the superheated vapor states and below this region the sub-cooled liquid states.   

In this post I want to expressly focus on other ways to mathematically describe these ‘saturation lines’.  Johannes van der Waals has shown us that the ‘saturation lines’ are the solution of the 3rd order equation in “Z”  that can be derived from his famous equation of state. However, any time we need to have the saturated densities or enthalpies of vapor and liquid in  our process design calculations we need to solve an equation of state, like the modern modified and improved versions of the ‘van der Waals’ equation like the Soave-Redlich-Kwong  (SRK) or Peng-Robinson (PR).

A shortcut equation to describe the ‘saturation lines’ would be very helpful, not only that it would avoid having to tediously solve the SRK or PR or a similar equations of state. More importantly in the case we have access to a specific dataset of very accurate physical properties of a particular pure compound, for example Carbon Dioxide or Methane, it will allow us to capture the ‘saturation line’ data with ease and very accurately so !! The compressibility factor ‘Z’ for saturation conditions for both vapor and liquid allows direct calculation of the saturation densities and thus such shortcut equation(s) would be useful and handy tools in our computational toolbox.

Examples illustrating the application of these shortcut equations are given for Carbon Dioxide

Part 1   Shortcut Equations for Saturated Vapor Line in ‘Z versus Pr’ Diagram

Part 1-A   An Accurate Correlation for the Saturation Line’s ‘Z,vap,sat’ values.

Part 1-B   A Generalized Correlation for the Vapor Saturation Line’s  ‘Z,vap,sat’ values.

Part 1-C  Two Charts Showing Both Vapor Phase Shortcut Equations in a  ‘Z- Pr‘ Plot.

Part 2  The Liquid Phase Saturation Line in a ‘Z-Pr’ Chart : a Shortcut Equation

Part 2-A   An Accurate Correlation for the Saturated Liquid Line’s  ‘Z,liq,sat’ values.

Part 2-B  The Saturated Liquid Density calculated with the ‘Z,liq,sat’ Correlation.

Part 1   Shortcut Equations for the Saturated Vapor Line in a ‘Z – Pr’ Diagram

Part 1-A   An Accurate Correlation for the Saturation Line’s ‘Z,vap,sat’ values.

The Vapor Compressibility Factor for saturation conditions of reduced pressure and temperature can be described as follows:

Z,vap,sat =  1 – ( 1- Zc) * A * Pr^n / ( 1 – Pr)^m   …………………………….(Eq.1a)

In which ’Z,vap,sat’ = compressibility factor ‘Z’ at saturation, i.e. the pure compound’s superheated gas is at the point of imminent condensation to occur for the given Pr and Tr.      ‘Zc’ = the critical compressibility factor at critical conditions, Pc and Tc , of the pure compound.   ‘Pr’ = the reduced pressure,(P/Pc) ; and  ‘A’ = a numerical value  < 1 ; and  ‘n’  as well as  ‘m’ are exponents  < 1.  These three constants  ‘A’ and ‘n’ and ‘m’ are characteristics specific to the particular pure compound described.

For example for Carbon Dioxide (CO2) with a ‘Zc’ value of  0.2745 these three constants are:   ‘A’= 0.689 , the exponent ‘n’= 0.689 and exponent ‘m’= 0.076 .

Note1: The reduced temperature, Tr, does not appear in this equation as at saturation, of course, the pressure and temperature are coupled via the pertinent vapor pressure relation! 

Note2: this correlation does not include simulating the critical point’s ‘Zc’ value , as the factor     (1-Pr)^n leads to division by zero at Pr= 1.

Note3: some examples of the correlation constants  ‘A’,  ‘n’ , and ‘m’ and the Average Absolute percentage Deviation  (AAD%) obtained through regression of ’Eq.1a’ using the literature source data (see references) over the pertinent absolute temperature range shown in the Table below.

CompoundZc‘A’‘n’‘m’AAD%‘T’  Range deg.K
LK-Simple luid0.29010.66210.6670.0840.30%(0.8<Tr< 1.8)
Nitrogen0.28940.70010.70160.0660.23%64 -125
Methane0.28560.6660.6660.0880.14%91 – 188
Carbon Dioxide0.27450.6890.6890.0760.14%217 – 302
n-Butane0.27380.7100.7100.0610.28%150 – 420
Sat. Steam0.22940.70940.6750.0650.19%294 – 644

 Part 1-B   A Generalized Correlation for the Vapor Saturation Line’s  ‘Z,vap,sat’ values.

The correlation in Part 1-A,  (Eq.1a), is eminently suited to simulate the ‘Zsat’ values for pure compounds where it’s constants ‘A’, ‘n’, and ‘m’ have been determined through regression  based on a set of very accurate physical properties data valid for saturation conditions of a pure compound.

However, in case you do not have such an extensive accurate data set available for the compound you are interested in, only just the Critical Compressibility Factor ‘Zc’, the following empirical equation for the Saturated Vapor Compressibility Factor ‘Z,vap,sat’ may be used:

 Z,vap,sat = Zc + ( 1- Zc) * ( 1 – Pr^0.80 ) / ( 1 – (1- Zc) * Pr ^1.60 )  ……….(Eq.1b-1)

This correlation is entirely empirical, arrived at by trial and error, while only needing a single constant: the Critical Compressibility Factor ‘Zc’. It should not be surprising to us to find that the AAD% for the ‘Zsat’ values predicted is in the order of around  1 to  2%.

For example: Saturated Steam with ‘Zc’ = 0.2294  we find the  AAD% = 1.6% for the reduced pressure range of   0 < Pr <  0.8 ; with the corresponding saturated reduced temperature range of  0.42 < Tr < 0.97.

If however you have at least some limited amount of data available in the region of practical interest, you can improve the accuracy of the predictions by introducing the factor (1-Pr)^ex  in both numerator and denominator of ‘Eq.1b-1’. This can improve the AAD% to around 0.5% over nearly  the entire Pr range. The equation then reads as follows :

Z,vap,sat = Zc + (1-Zc) * (1-Pr^0.8) * (1-Pr)^p / ( 1-(1-Zc) *Pr^0.6 * (1-Pr)^q ) …(Eq.1b-2)

In which exponents of these two factors are respectively ‘p’ and ‘q’.  For example for  Saturated Steam with Zc=0.2294 and ‘p’=  0.106 and ‘q’= – 0.045 the AAD% equals 0.5% over the range of  0.002 < Pr < 0.97 !

Note1: The factor (1-Pr)^q in the denominator part of (Eq.1b-2) introduces a stronger downwards curvature of the ‘Z,vap,sat’ line at higher Pr values approaching the critical point ( Pr > 0.85), whereas the factor (1-Pr)^p in the numerator only slightly affects the curvature at the midrange Pr values. See the examples in the Charts of the next section.

Part 1-C  Two Charts Showing Both Vapor Phase Shortcut Equations in a  ‘Z- Pr‘ Plot.

Two Charts will be presented to demonstrate graphically the short cut correlations equations that have been given above. The First Chart covers the shortcut equations ‘(Eq.1-a)’ and ‘(Eq.1-b-1)’ .

The Accurate Correlation Equation ‘(Eq.1-a)’ for the Vapor Phase Saturated Compressibility Factor ‘Z,vap,sat’ has been applied to the accurate physical data tables for Carbon Dioxide, CO2, published by Span and Wagner [Ref.1]. Through regression the constant and exponents were determined as given above, and thus for CO2 the Saturation Line’s compressibility factor reads :

Z,vap,sat =  1 – ( 1- 0.2745) * 0.689 * Pr^0.689 / ( 1 – Pr)^0.076 

This accurate correlation equation has been plotted in the following Chart and is shown as a black line. Also plotted are some isotherms for superheated subcritical Carbon Dioxide vapor.

For comparison purposes the ‘Generalized Correlation ‘(Eq.1b-1)’ , for saturated Carbon Dioxide vapor has also been co-plotted, shown as a red line, for comparison (see further text below next Chart no.2) This equation here reads:

Z,vap,sat = 0.2745 + ( 1- 0.2745) * ( 1 – Pr^0.80 ) / ( 1 – (1- 0.2745) * Pr ^1.60 )

Note1: This Chart has been plotted here in Absolute –not reduced- Pressure and Temperature for easy reference in using the Chart.

Note2:  The isotherms of the superheated CO2 vapor have been plotted with the help of a The Zpbe- Lee-Kesler model  developed for CO2 .

Chart 1 — Saturation Lines For CO2 for Vapor and Liquid in The Z versus Pr diagram

In the second Chart presented below the ‘Generalized Correlation Equation’ for the  Saturated Vapor Line, using ‘(Eq.1b-2)’, has been plotted for two specific compounds:  Methane with  Zc=0.2856 and Steam with  Zc=0.2294.  These two compounds were chosen here as their ‘Zc’ values are far apart. Their plots cover the entire range of reduced pressures.

The correlations for each of the two compounds have been drawn as continuous lines. In  addition individual points of accurate values from the published tables of physical properties for each compound [Ref.2] and [Ref.3] have been co-plotted for visual comparison.  The parameters ‘p’ and ‘q’ determined through regression for each compound are:

‘Methane’ :  Zc= 0.2856  ; p= 0.03 ; q= – 0.05

‘Steam’ : Zc=0.2294  ; p= 0.106  ; q= – 0.045

Chart 2 — Saturated Vapor Lines Generalized Correlation for Methane and Water ; Comparison with literature “Z” values

Part 2  The Liquid Phase Saturation Line in a ‘Z-Pr’ Chart : A Shortcut Equation

Part 2-A   An Accurate Correlation for the Saturated Liquid Line’s  ‘Z,liq,sat’ values

The Saturation Line for the Liquid Phase in a “Z – Pr”  Chart of a pure compound can be described with the following type of equation:

Z,liq,sat =  A,liq * Pr^n / (1-Pr)^m – B,liq …………………………………(Eq.2-A)

In which A,liq and B,liq are constants and ‘n’ and ‘m’ are exponents unique for the pure compound. The four constants ‘A,liq’ , ‘B,liq’ and exponents ‘n’ and ‘m’ can be determined through regression to an accurate physical properties data base for the pure compound of interest.

For example, for Carbon Dioxide  the two constants and the two exponents can be determined with the help of the accurate data from Span & Wagner [Ref.1]  through regression as follows :                                   ‘A,liq’ = 0.1391 and ‘B,liq’ =0.0  , while the exponents are: ‘n’ = 0.975 and ‘m’= 0.135.  The percentage absolute deviation AAD% = 0.42% with STDEV% = 0.27%

Please note that the values calculated with this equation for Liquid Carbon Dioxide have been co-plotted in the first Chart and labeled as the ‘Saturated Liquid’ line! 

Another example, for Nitrogen the constants and exponents based on the data from [Ref.4] are: ‘A,liq’ = 0.1471 and ‘B,liq’ = 0 , while the exponents are ‘n’ = 0.938 and ‘m’ = 0.135.

Part 2-B The Saturated Liquid Density calculated with the ‘Z,liq,sat’ Correlation.

The  Saturated Liquid Phase has been characterized here with an equation of state in analogy of the vapor phase‘s  “Universal Gas Law”.  To be more specific with the version of the Universal Gas Law expressed wholly in Reduced Variables that reads as follows:

Pr * Vr  = Zr * Tr   …………………………………………………(Eq.2-B -1)

In which ‘Pr’ is the reduced pressure = P / Pc ;  ‘Vr’ is the reduced Gas Volume = V / Vc  ; and ‘Zr’  is the reduced Gas Compressibility Factor = Z / Zc  ; and ‘Tr’ is the reduced Temperature =T/Tc.  Note that in this reduced variables form of the “Universal Gas Law” the Universal Gas Constant ‘R’  has “disappeared’! In analogy for the Liquid Phase we can write as equation of state:

Pr * Vr,liq = Zr,liq * Tr   ……………………………………………(Eq.2-B -2)

In which ‘Vr,liq’ = Vliq / Vc  and ‘Zr,liq’ = Z,liq / Zc . Note that whereas the Gas Phase ‘Z’ values range between a value of  ‘1’ and the critical point value ‘Zc’ , the Liquid Phase values of ‘Z,liq’ range from the ‘Zc’ value at the critical point down to very small values at low reduced pressures. The reduced Liquid Phase Volume , ‘Vr,liq’, thus can be expressed as:

Vr,liq = Zr,liq * Tr / Pr   ………….……………………………….(Eq.2-B -3)

This equation is generally valid for both saturated and sub-cooled liquid conditions.

Next, combining ‘Eq.2 –A’ that describes the saturated Liquid Phase compressibility factor,’ Z,liq,sat’, with equation ‘Eq.2-B -3’ and the fact that the reduced liquid density is the inverse of the reduced liquid volume gives for the reduced liquid saturated density:

 Rhor,liq,sat  =  1 / Vr,liq,sat  =  ( Zc * Pr) / (Z,liq,sat * Tr )  ……(Eq.2-B -4)

or writing Z,liq,sat out in full:

Rhor,liq,sat =  (Zc * Pr) * (1-Pr)^m / ( ( A*Pr^n – B,liq*(1-Pr)^m )  * Tr ) …(Eq.2-B -4)

In which ‘Rhor,liq,sat’ stands for the reduced, saturated liquid density = Rho,liq / Rhoc.

For example for pure Carbon Dioxide  with A,liq=0.1391 and B,liq= 0  and Zc =0.2745  and the exponents are respectively n=0.975 and m= 0.135 the specific –dimensionless- equation reads:

Rhor,liq,sat = ( 0.2745 * (1-Pr)^0.135 ) / ( 0.1391 * Pr^(0.975 -1 ) * Tr ) …(Eq.2-B -4- CO2)

With the critical density of CO2 being 467.7 kg/m3  the liquid density is calculated from :

Rho,liq,sat-CO2  =  (0.2745 * ( 1-Pr)^0.135 ) * 467.7 / ( 0.1391* Tr * Pr^(0.975-1) )    kg/m3

This equation has been used to calculate the liquid saturated density of CO2 for the following absolute temperatures, 240, 250, 260, 280 and 300 degrees Kelvin. The saturation pressures have been calculated from the vapor pressure relation derived from the Acentric Factor Omega.

The calculated densities are compared with the densities quoted in Span & Wagner’s Tables and the Absolute percentage Deviations are shown in the Table below. 

 CARBON DIOXIDE   CALCULATED LIQUID DENSITIES
  W=0.22394Tc=304.13  
PPrTr sat from T  satRholiqsatRholiqsat 
 Omega corr. eq. S&WAAD%
bara —– —–deg.Kkg/m3kg/m3 
12.730.1725560.7891451240.001091.01088.870.20
17.7650.2408060.8220213250.001044.01045.970.19
24.170.3276270.8549249260.01995.1998.890.38
41.860.5674160.9206636280.00882.7883.580.10
53.550.7258750.9535432290.00806.3804.670.20
67.40.9136130.9864469300.01670.7679.231.25
       

End of Post -3July2023 ———————————————

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Generalizing the Corresponding States Correlation for Saturated Water (steam condensate) Liquid Densities to Include non- Polar Compounds.

Previously, a correlation equation for the liquid density of saturated Water (steam condensate) was developed and reported in this blog [ref.1]. This correlation describes the liquid density as a function of the reduced temperature in the form of a compact equation for easy implementation in excel. This correlation covers the entire temperature range from triple point to the critical temperature. The average absolute percentage deviation (AAD%) over the temperature range from 20 to 370 degrees Celsius is 0.09% versus the Table values from Pruss & Wagner [ref.2]  with the largest deviation occurring at 50 oC with an AD%  of 0.22%.

The development of this equation at the time brought some insights into the peculiar behavior of the density of water in particular at lower temperatures. Non-polar compounds at the lower end of their two-phase temperature range normally show a “densification” of their liquid phase in step with the lowering of the saturation temperature, in other words lowering temperature towards their melting points brings about steadily increasing liquid densities! Water, however, simply resists and the slope of the density versus temperature curve nearly flattens as its melting point is approached! We can also say this as follows: water resists “contraction” of its aggregated molecules coming together upon cooling. A recent article in Nature [ref.3] explains this anomalous behavior by the forming of up to four ‘hydrogen bonds’ between the water molecules creating stabilizing- localized structures in the liquid phase. These insights at the time, now led me to further develop the correlation for water into a more generalized correlation equation.

The generalized equation presented here below, based on the form of the saturated liquid water correlation equation referred to above has been developed to include other compounds even those with non-polar, non-hydrogen bonding characteristics, like light hydrocarbons (further see section –3–).

–1– The Generalized Saturated Liquid Density Correlation The Generalized Correlation Equation developed reads as follows:

Ln ( Rhol / Rhoc *1/C ) = Ln( beta / Zc) * (1 – Tr )^(2/7) * Tr^(alpha / 7)     

In which : Symbol “Ln” stands for the natural logarithm. “Rhol” is the saturated liquid density (e.g. of steam condensate) in kg/m3. “Rhoc” is the critical density in kg/m3. “C” is a constant for the pure compound. “Beta” is a constant for the pure compound. “Zc” is the critical compressibility Factor for the compound. “Tr” is the reduced temperature. “Alpha” is a constant for the pure compound.

Please note the usual excel style of formula notation “ * ” equals the ‘multiplication’  symbol and ” ^ ” equals ‘raising to the power’!

It is interesting to note that in developing the equation the same exponent has been arrived at for the (1-Tr) factor as in the famous Rackett equation: 2/7. It is surely striking that for Water an additional factor of Tr raised to the power 1/7 had to be introduced to account for the hydrogen bonding occurring at lower temperatures. 

The three parameter constants in the generalized equation have the following meaning and effect on the resulting calculated densities: the constant “C” is introduced to reflect uncertainty in the critical density values which in general we know are difficult to measure and pin down. For example, the critical density of water is given in Pruss and Wagner‘s reference paper as 322 +/- 3 kg/m3, an inaccuracy of +/- 1%. The constant “C” has the effect to shift the density curve versus temperature with such factor, in particular in the region towards the critical temperature. The “beta” parameter influences the slope of the density curve. Last but not least “alpha” influences the shape of the density curve at the low end of the temperature range towards the melting point. For water alpha equals ‘one’. For non-polar compounds such as for example Methane, Ethane etc the alpha value equals zero!

–2– Numerical Examples of the correlation for some different compounds

—2-A – Water,   Critical Density = 322 kg/m3 ,  Zc = 0.2294  and with Equation parameters   C= 0.991 , Beta=1.047 , Alpha = 1 .

Rhol = C * Rhoc * Exp( Ln(beta/Zc) * (1-Tr)^2/7 * alpha/ 7 ) in kg/m3

The Average Absolute percentage Deviation (AAD%) of the calculated densities over the temperature range of 20 to 370 degrees Celsius equals = 0.112%  over 36 data points! Some calculated values for saturated Water Density  and their percentage deviations:

  • temperature  0 degr. C  : Rhol  = 1005.    kg/m3     AD% = 0.51%
  • temperature  21 degr.C  : Rhol  = 998.5   kg/m3     AD% = 0.05%
  • temperature 101 degr.C  : Rhol = 955.8   kg/m3     AD% = 0.20%
  • temperature 131 degr.C  : Rhol = 933.0   kg/m3     AD% = 0.12%
  • temperature 161 degr.C  : Rhol = 906.4   kg/m3     AD% = 0.03%
  • temperature 211 degr.C  : Rhol = 852.2   kg/m3     AD% = 0.06%
  • temperature 261 degr.C  : Rhol = 782.7   kg/m3     AD% = 0.06%
  • temperature 311 degr.C  : Rhol = 688.7   kg/m3     AD% = 0.01%
  • temperature 361 degr.C  : Rhol = 524.4   kg/m3     AD% = 0.32%

A longer list of example temperatures have been shown here, temperatures that often occur in steam generation and distribution systems. For example the temperature of 131 degr.C corresponds to a pressure level of 2.77 Bar abs, a LowLow Pressure (LLP) steam level

—2-B — Methane,   Critical Density = 162.66 kg/m3 ,  Zc = 0.28586 and with Equation parameters  C= 0.9825 ,  Beta = 1 ,  Alpha = 0 .

Average Absolute percentage Deviation over the absolute temperature range of 96 to 186 degrees Kelvin equals AAD%=  0.12%  over 45 data points! some calculated values: 

  • temperature   96 degr. K : Rhol = 445.4  kg/m3    AD% = 0.22%
  • temperature  120 degr.K : Rhol = 410.2  kg/m3     AD% = 0.08%
  • temperature  140 degr.K : Rhol = 376.6  kg/m3     AD% = 0.08%
  • temperature  160 degr.K : Rhol =  335.7 kg/m3     AD% = 0.18%        

—2-C — Carbon Dioxide,  Critical Density = 464.56 kg/m3 ,  Zc = 0.2745 and with Equation parameters  C= 0.9935 ,  Beta = 1.033 ,  Alpha = -0.07 .

Average Absolute percentage Deviation over the absolute temperature range of 218  to 304 degr.K equals AAD%= 0.19%  over 44 data points! some calculated values: 

  • temperature  220 degr. K  : Rhol = 1166.5 kg/m3      AD% = 0.06%
  • temperature  250 degr.K  :  Rhol =  1045.2 kg/m3     AD% = 0.07%
  • temperature  280 degr.K  :  Rhol =   883.7  kg/m3     AD% = 0.01%
  • temperature  300 degr.K  :  Rhol =   684.8  kg/m3     AD% = 0.82%     

 —2-D – Methanol,    Critical Density = 281.5 kg/m3 ,  Zc = 0.224 and with Equation parameters  C= 1 ,  Beta = 0.89 ,  Alpha = 0.49

Average Absolute percentage Deviation over the absolute temperature range of 210  to 513 degr. K equals AAD%= 0.55% over 22 data points! some calculated values: 

  • temperature  240 degr. K  : Rhol =   839. 4 kg/m3      AD% = 0.2%
  • temperature  300 degr.K  :  Rhol =   791.6 kg/m3       AD% = 0.9% 
  • temperature  420 degr.K  :  Rhol =   649.4 kg/m3       AD% = 0.2%
  • temperature  480 degr.K  :  Rhol =   528.0 kg/m3       AD% = 0.5%     

—3 —  Development of the Generalized  Correlation Equation

—3 — 1  The density of saturated liquid water and its correlation with Tr

Let us return to the form of the equation developed for saturated pure water as was published in this blog [ref.1] at a much earlier date. It reads as follows:

Ln(Rhol / Rhoc) = A * (1 –Tr)^0.286 * Tr^0.145 + B  ……………(Eq3-1)

The two constants are the slope “A” and the bias constant “B” resulting from the straight line regression performed on the temperature function (1-Tr)^n * Tr^m whose values were calculated from the density versus absolute temperature data points tabled in the source publication by Pruss and Wagner [ref. 2]. The data points extracted from this source and entered in an excel spreadsheet form a collection of 44 data points. The correlation of Eq3-1 was arrived at by performing a manual trial and error regression of a straight line relationship.

For completeness sake let me write out in detail my procedure used for this manual trial and error regression performed on this dataset as follows:

= plot Ln(Rhol/Rhoc) versus the temperature function.

= observe the shape of the curve for the assumed values of the exponents.

= in excel add to the chart a linear trend line and have the correlation’s R^2 and regression equation displayed on the Chart.

= vary the exponents until R^2 is maximized.

Note: a very high correlation coefficient R^2 , even R^2 =1, does not imply that the highest Average Absolute percentage Deviation (AAD% ) over the applied correlation’s calculated (predicted density) data range has been achieved! Therefore always the next step has to be included where the regression equation is applied to calculate the Rhol values generated by this regression equation followed by calculation of the Absolute percentage Deviation AD% for each point’s value. Next, calculate the Average Absolute percentage Deviation AAD% over the entire range of interest of generated predicted Rhol values.

Sometimes it is helpful to also do a calculation of the standard deviation (STDEV) over the column of AD% numbers of the calculated individual density points as an indication of the degree of percentage deviation variation for the current regression‘s calculated values. This “STDEV” number should be compared with the average percentage absolute deviation AAD%. Observe the ratio of stdev / aad% to be close to 1 or smaller. For instance, the example in section 2 of Methane the AAD% = 0.12% while the STDEV = 0.08%.

Also helpful, sometimes, is to make an additional plot of the AD% as function of the Rhol values generated by the regression equation. Often you can see “bathtub” type curves emerging where these AD% are higher near the edges of the data ranges in particular where there is also a physical boundary e.g. the melting point or critical point! For instance, for Water the AAD% = 0.11% while the STDEV = 0.15% , mainly due to the larger AD% values for lower temperatures just above the melting point (0 to 20 degr.C) and the very high temperatures (350 to 370 degr.C) close to the critical point.   

= keep observing while varying exponents “n” and “m”. Remembering that the goal is to keep the resulting correlation equation as simple as possible, that means to get constant “B” to zero or as small as possible and the AAD% as low as practicable!

Note: I have written out the above procedure in rather much detail as you may want to apply this type of correlation equation to your data “sitting” in a Table of density / temperature data obtained from the manufacturer / supplier for the compound you are interesting in or working with.  For example, your interest maybe e.g. refrigerants!

Let us now continue with the above Eq3-1. In the very first trials to determine a regression line to the Water data from [ref. 2] the “temperature function” did not include the factor Tr^m. Without that additional temperature factor only part of the plotted line towards the critical point could be made to “straighten”, but at the lower end of the temperature range, the line remained curved! Upon introducing the additional factor Tr^m in the temperature function, a better fit of the whole regression line over the entire two phase region was obtained including the low temperature end of the range in particular!

— 3 —  2    Again revisiting  Eq3-1 and its possible interpretation

Repeating Eq3-1 here but now with its numerical values inserted as follows:

Ln(Rhol / 322) = 1.5247 * (1 –Tr)^0.286 * Tr^0.145  – 0.0119   ……………(Eq3-1A), giving :

Ln(Rhol / Rhoc * 1/ 0.98817 ) = 1.5247 * (1 –Tr)^0.286 * Tr^0.145    ……….(Eq3.-1B)  

 with C = Ln(B).  As the aim of the regression is to get “B” close to Zero then constant C will be close to 1. In effect “C” changes the effective critical density value used in the left hand side of the equation!  Is introducing factor “C” realistic? I think so as I believe critical densities are (still!) experimentally difficult to measure!  Even the 1992 / 1995 work of Pruss and Wagner [ref.2] quotes the critical density of Water as “ 322 +/- 3 kg/m3 “ (!),  whereas the density measurement values at conditions more remote from the critical point are more easily pinpointed to their applied pressure and temperature conditions. The saturated density curve, in a temperature versus density diagram, runs towards the critical point in nearly horizontal fashion (it “plateaus”). In the diagrams of our examples as shown in section 4, (reversely plotted as density versus temperature) we can see the density steadily decreasing as temperature increases and then it takes a strong, sudden dive, running nearly vertical downwards to the critical point, which shows graphically the difficulty in pin pointing the critical conditions! Also other experimental factors such as possible accuracy of measurements techniques, purity of the compound, stability of the compound, dissolved gases present etc, all play a role. A good example is Methanol of which the determination of the critical point density has been challenging as witnessed by the wide range of critical data reported over the decades [ref. 4]!

Now let us look at the value of “A” and what it’s meaning could be. Obviously it is the “slope” factor in the regression line. For water “A” equals 1.5247.  Although “A” is a factor and not an additional constant like “B”, let us similarly treat it as being a logarithmic value, thus the question is: what does Exp(1.5247) numerically look like?  Exp(1.5247) = 4.5938. Next, when looking at the slope “A” for Methane we get  “A” = 1.2523 and here Exp(1.2523) = 3.4984 . Such numbers remind of the numbers and values for inverted Zc values ! Does this suspicion holds true?

Further checking on other compounds, like the light hydrocarbons, led to substituting the slope factor “A” by the following expression:  Ln( beta * 1/Zc) in which “beta” stands for a constant for the compound with a value close to 1.

Next let us look at the exponents 0.286 and 0.145 in Eq.3-1. The first one is easy to recognize as the constant exponent of ‘2/7’ used in the Rackett equation for saturated liquid density, a remarkable fraction. Then remembering the reason for the inclusion of the factor Tr^0.145 in the original equation for Water and noticing that the exponent of 0.145 is being close to the fraction ‘1/7’ , I chose to use for the generalized correlation as exponents 2/7’  and for the last exponent the value ‘1/7’ plus introduce an additional proportionality factor alpha while retaining the numerical value ‘1/7’. Resulting in writing the exponent as “ alpha/7 “ 

Hence the equation Eq3-2  can now be written as :

Ln(Rhol / Rhoc * 1 /C ) = Ln(beta / Zc) * (1 –Tr)^2/7 * Tr^(alpha/7)   …(Eq3-3)

This is the generalized equation presented in Section –1–  .

The following Table gives the physical data for Rhoc and Zc plus the respective three parameters “alpha”, “beta” and “C” plus AAD% of predicted densities for all the compounds on which this equation has been applied and tested.

CompoundMolecularRhocritZcCbetaalphaAAD%
 Weight      
 MW      
NameKg/kmol kg/m3 ——-———-—-  ———
n-Pentane72.1512320.268371100.25
n-Butane58.1222280.273771.0080.99800.148
Propane44.096220.480.276460.9881.0200.299
Ethane30.04206.70.279140.991100.167
Methane16.043162.660.285860.9825100.129
CO244.009464.560.274230.99351.033-0.070.187
H2O18.0153220.229440.9911.04710.117
MeOH32.042281.50.219210.890.490.552

The following text gives some further (subjective) observations about this Table and my impressions made during the process of manual fitting of a linear regression line to the density data.

In the above Table a dividing line between the Oxygen containing “polar compounds” and the non-polar compounds of the first five light hydrocarbons has been drawn. Such division is, as one would expect, based on the presence of Oxygen in a molecule! Water is the paragon of polar molecules. Water, having one Oxygen bonded to two Hydrogen atoms, possesses a strong dipole moment across the molecule. In our developed generalized equation we have given “alpha” the role of indicator for the presence of polarity playing a role in the saturated densities versus temperature regression.  An alpha value of 1 for Water was assigned by definition!

For Methanol we arrived at an alpha value of 0.49 to obtain a reasonable good fit. This is not surprising as Methanol also has a strong dipole moment. For Carbon Dioxide, CO2, we had to introduce a slight, even negative value for alpha to obtain a good fit! Carbon dioxide (in the gas phase) has a no ‘net dipole moment’.

Before looking closer into the concept of polar-compounds and dipole moments to give us a more nuanced picture, I want to relay some thoughts that emerged while doing regressions on the five light hydrocarbons. Carrying out the density/ temperature linear regression on liquid Ethane and n-Butane was easy. It did not take much time and effort to achieve a low AAD%. On Propane however it turned out to be more difficult and much fine tuning to get a good fit, to the extent of going back checking again the extracted source data in the spreadsheet if missed or shifted temperature /density data points played a role. Next followed by checking if entering an alpha value other than zero (= assumed non-polar) could help. It did but then I dropped it later, wanting to stick to the assumed zero value for alpha, after all this is supposed to be non-polar! After finishing the light hydrocarbon series I wondered if the un-even number of Carbon atoms in this presumed non-polar molecule could play a role??

So decided to look closer into polarity and dipole moments of substances and brushing up my knowledge of it. It brought out some interesting things.

Look at the two H – O bonds in Water. They are the source of the electric charge polarity. Overall a Water molecule exhibits no net electrical charge, it is overall neutral. However the H – O bond is formed by the pull and push of electrons over that bond between these two atoms. The oxygen atom ‘pulls away’ the electron of the hydrogen atom, thereby “filling” its outer electronic shell (from 6 to 8), leaving the hydrogen with a positive charge, while oxygen obtains a negative charge across that H –O  bond, forming a dipole. With Water having two of these polar bonds which are not stereo – symmetrically positioned in the molecule, a residual net dipole moment across the whole molecule remains!  The net dipole moment of Water is 1.85 Debije.

Look at Carbon Dioxide, CO2, it has two polar bonds too namely, twice the C = O bond. However, these two dipoles are spatially aligned each in opposite directions. The overall net dipole moment is zero !   

Look at Methane, CH4, it has four (weaker) polar C – H bonds! CH4 is shaped in tetrahedron fashion, and has thus four very stereo – symmetrically aligned C-H bonds and again the net dipole moment of the molecule is zero!

Here is a list of experimentally measured dipole moments of the first n-alkanes measured in the gasphase [ref 5] , shown together with the other compounds in the above Table:

Compound Experimental Dipole Moment (gasphase)
CH4                0  Debije 
C2H6              0  D
C3H8               0.08  D
n-C4               0  D
n-C5                0. 007 D
CO2                0  D
H2O                1.85 D
MeOH             1.67 D

The small dipole moment value for C3H8 was explained by the asymmetrical stereo configuration of the C3H8 molecule !

The net dipole moment is the property of one single molecule. How a whole aggregation of such molecules behaves e.g. in the (dense) gas phase or the liquid phase depends on if and how that polar molecule interacts with its neighbors which in its turn depends on the distance between its neighbors (density) and their vibration rates (kinetic energy, temperature). In the gas phase it may lead to association between molecules. In the liquid phase in particular at lower temperatures and higher densities both factors allow closer approach of a molecule with its surrounding neighbors and may form new bonds. Water is the prime example with its V-shaped molecular structure in which the Oxygen atom sits at the apex that allows the electro-negative oxygen to form bonds with the electro-positive Hydrogen atom that is part of another H2O molecule, forming “hydrogen bonding” pairs or even clusters of water molecules! One Water molecule can create up to four hydrogen bonds (in the liquid phase)! And it is these hydrogen bonds that are responsible for the “muted” response of the liquid density increase upon lowering the liquid temperature!

Now looking at Methanol, we see the gas phase polarity is nearly as strong as that of Water. In the liquid phase I would expect it also shows a similar “muted” density – temperature response. This was confirmed by the alpha value arrived at in the regression: it was found to be 0.49.

In a recent publication titled “The dipole moment of alcohols in the liquid phase and in solution” [ref. 6] the authors state: “We observe that the dipole moments of pure liquid alcohols are enhanced by ~ 0.9 Debije over their gas phase values, which is similar to the enhancement observed for Water ….”.  In other words they found the effective dipole moment of liquid methanol to be as high as 2.57 Debije!      

From this we can learn that the density of the fluid phase “amplifies” the effective polarity experienced (through hydrogen bonding) of a polar compound.

Other n-alkanols, like Ethanol etc., I would expect to be successfully correlated with the developed generalized correlation for saturated liquid density of Eq3-3  with alpha values between 0 and 1. This has not been tested so far.

—4 —  Some excel Charts of the Examples shown in Section 2

—5 —  References 

( 1 )    https://mychemengmusings.wordpress.com/2013/08/12/calculation-of-enthalpy-and-density-of-condensate-saturated-liquid-water-by-corresponding-states-correlation/

( 2 )  “International Equations for the Saturation Properties of Ordinairy Water……”, Pruss and Wagner, J.Phys.Chem.Ref.Data, Vol.22, No. 3, 1993.

( 3 )  “The structural origin of the anomalous properties of liquid water “, Nilsson and Pettersson, nature communications, ncomms9998.pdf, published 8 Dec 2015.

( 4 )  “Thermodynamic properties of Methanol in the Critical and Supercritical Regions”, Abdulagatove, Ely et al , International Journal of Thermodynamics, Vol 26, no 5, Sept 2005, Table 1 ,Values of Critical Properties of Methanol. (showing critical density values ranging from 271 to 283 kg/m3).

( 5 )    list of dipole moments

( 6 )   “The dipole moment of alcohols in the liquid phase and in solution” , Jorge,  Gomes and Barrera, Journal of molecular Liquids ,356 (2022), published  online 31 March 2022.      

End ================ Post

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Five Short Equations describing the saturated Density and Enthalpy  of Carbon Dioxide (CO2)  Vapor and Liquid

In this post I will present a set of five short, handy – yet accurate –  equations to predict the density and enthalpy  of Carbon Dioxide  in the saturated liquid and vapor phase. The key, I found, to successfully describe these two physical properties, density and enthalpy, over nearly the entire two phase region is the use of the vapor compressibility factor ‘Z’ , under saturation conditions (‘Zsat’), as an extra variable in addition to temperature and pressure. Such set of short and accurate corresponding states equations of pure CO2 can be of great help to easy to implement these physical properties in ‘spreadsheet or flow-sheet’ studies of recovery systems of CO2 or study of reduction of its releases into the atmosphere.

The compressibility factor of the saturated vapor phase , ‘Zsat’ , plays, as said, a key role in  describing the saturated liquid phase density and liquid phase enthalpy of Carbon dioxide.  This surprising role will be demonstrated in the calculation examples (see Part II ) !

The five equations presented below have been developed based on the accurate thermophysical properties measured and reported by Span and Wagener, see ref. 1

The very first short equation to be presented here therefore is the correlation of how ‘Zsat’ itself relates to saturation pressure or temperature.  These five equations described are:

-(a)- the CO2 saturated vapor compressibility factor, symbol: Zsat ; -(b)- the CO2 saturated vapor density, symbol:  Rhovap ; -(c)- the CO2 saturated liquid density, symbol:  Rholiq ; -(d)-  the CO2 saturated liquid enthalpy, symbol:  hliq ; -(e)- the  CO2 saturated vapor enthalpy, symbol:  Hvap ;

This post is long and has therefore been divided into three main parts: Part I   presents the five short equations in sections (a) to (e) . Part II   gives some numerical calculation examples Part III  gives the basis on which these short equations rest.  References

Appendices: App.  A:  Table with basic thermo-physical property data for Carbon Dioxide , taken from Span and Wagner (ref.1)  for easy reference ; App.  B:  Excel Spreadsheet link with short equation verifications ; App.  C :  Graphical representations of the equations (a) to (e) in Part I

Please do note that in this blog the equation formulas presented here are written in an ‘excel’ style format hence multiplications are shown as ‘ * ’  and raising to the power as  ‘^’ and divisions as ‘ / ‘ .  Subscripts have been indicated by an italic part of the variable’s symbols.

The predictions made by these five equations are all valid over the same temperature range covering nearly the entire two phase region of CO2,  viz.  from 218 to 302 degrees Kelvin :  218 = < T  < = 320 .

The average relative percentage errors in the predictions made by each of these five equations for Carbon Dioxide over this temperature range are quoted in the text accompanying each equation described here below.       

Note that all enthalpy values for the two phase region listed by Span & Wagner (ref.1) have been rescaled such that the liquid enthalpy of Carbon Dioxide at the Triple Point is set to Zero and hence the vapor phase enthalpy at the Triple Point is equal to the heat of evaporation.

A pdf version of this post is found here:  

Part I — The Five Short Equations

Part I -(a)  The Saturated CO2 Vapor Compressibility Factor ‘Zsat’ 

Along the saturation curve the temperature and pressure are coupled via the vapor pressure relationship. Therefore the saturated vapor compressibility factor ‘Zsat’ can be expressed either as function of the saturation pressure or the saturation temperature.  The ‘Zsat’ factor is given here both as a function of pressure (labeled ‘ZsatP’)  as well as a function of temperature (labeled ‘ZsatT’) as shown below:  

ZsatP  = 1 – 0.03543 * P^0.689 / ( 73.773 – P )^0.076

In this equation ‘ZsatP’ = the saturated vapor compressibility factor for CO2 and  ‘P’  =  the absolute (saturation) pressure in Bar abs. This equation covers the absolute pressure range from 5.504 Bar abs. to 70.267 Bar abs , corresponding to saturation temperatures from 218 to  302 deg.Kelvin ! This equation allows you to calculate the ‘ZsatP’ factor with an average percentage error of 0.14% compared to Span & Wagner’s measured data (Ref.1).

Alternatively, ‘Zsat’ can be expressed as a unique function of the absolute saturation temperature as follows:

ZsatT  = 1 + 0.001613 * ( T * ( 304.128  – T ) )^0.6  – 0.67508

This equation allows the ‘Zsat’ factor to be calculated with an average percentage error of 0.13%!   See the graphical representation in diagrams for these two equations in the Appendix.

Part I -(b)  The Saturated Vapor Density of CO2   ‘Rhovap’   

The saturated CO2 vapor density ‘Rhovap’ can be expressed as a function of the saturation temperature. The following short equation shows how ‘Rhovap’  can be directly calculated as a function of absolute temperature:

Ln(Rhovap / Rhoc) =  C * ( Tc –T)^0.68 / T^1.15 / ZsatT^0.33  + B  

in which ‘Rhovap’ is expressed in kg/m3 ; and Rhoc= 467.6 kg/m3 ;  and C=  – 75.135 and B = -0.1855 ;  ‘Tc’ is the critical temperature of 304.128 deg K ; and ‘T’ is the absolute temperature in deg.K ; and ‘ZsatT’ is the value calculated from the equation in the above section I-(a).  The calculation results of this equation predict density values having an average percentage error of 0.33%.

For the case that you have both the saturation temperature and the saturation pressure available and known to you, the vapor density can be straightforwardly calculated from the ‘Zsat’ equations plus the Universal Gas Law. This leads to the following short equation:

Rhovap =    529.304 * P / (Zsat * T)

in which ‘Rhovap’ = density of saturated Carbon Dioxide in kg/m3 ; ‘P’ = the absolute pressure in Bara ;  ‘Zsat’ = the compressibility factor of saturated CO2 vapor ;  ‘T’ = the vapor absolute temperature in Degrees Kelvin.  If for Zsat the values for ‘ZsatT’ are used the calculated densities have an average percentage error of  0.13 % , else for ‘ZsatP’ values it is 0.14% .     

Part I  -(c) The Density of Saturated Liquid Carbon Dioxide  ‘Rholiq

The following equation for predicting the saturated liquid density makes use of the surprising ‘find’ that it can be correlated with the saturated vapor compressibility ‘Zsat’  factor as follows:

Rholiq =  – 3.53267 * (T-To)  / (ZsatT^0.646)   +  1180.409

in which ‘Rholiq’ is the saturated liquid density in kg/m3 ; ‘T’ = the absolute temperature in deg.K ;  ‘To’ = the triple point temperature of CO2  of 216.592 deg.K ; and ‘ZsatT’   is the calculation result of the equation  given in I-(a).  The predicted liquid density values have an average percentage error of 0.08 % !               

Part I  -(d) The saturated Liquid Carbon Dioxide Enthalpy   ‘hliq

The enthalpy of saturated liquid Carbon Dioxide can be calculated directly from the following short equation:

hliq = 1.90 * (T – To) / ZsatT^0.304

in which  ‘hliq’ is the enthalpy is expressed in kJ/kg ;  ; ‘T’ = the absolute temperature in deg. K ; ‘To’ = the Carbon Dioxide triple point temperature 216.592 deg.K  and ‘ZsatT’  is the the calculation result if the equation in Part I -(a).   This formula predicts the saturated liquid enthalpy with an average percentage error of 0.22%.

Part I  -(e) The  Saturated Vapor Enthalpy of  CO2   ‘Hvap’   

The enthalpy of saturated CO2 vapor can be calculated with the following short equation:

Hvap = 350.376 * ZsatT  + 0.9496 * (T –To )^1.1  + 28.413

in which ‘Hvap’ is expressed in units of kJ/kg ; ‘ZsatT’ = the compressibility factor of saturated CO2 vapor as function of ‘T’ as shown in Part I -(a)- . This formula predicts the saturated CO2 vapor enthalpy values with an average percentage error of 0.16 %  .

For the case that you know the saturated pressure (i.e. vapor pressure) in addition to the temperature then the ‘ZsatT’ value maybe replaced with the ‘ZsatP’ value upon which this equation will yield an average percentage error of 0.06% ! 





Part II — Some Numerical Calculation Examples

Calculation Results of The Five Short Physical Property Equations for Carbon Dioxide

Part III — The Basis for The Five  Short Equations

Part III  -(a) The Vapor Compressibility Factor  Zsat  (ZsatP , ZsatT)

The vapor compressibility factor ‘Z’ for CO2 under saturation conditions can be expressed as a unique function of either the reduced pressure or the reduced temperature.  I discovered that by plotting the left hand side of the following equation:

(1-Zsat) / (1-Zc ) = A * Pr^n / (1-Pr)^m + B 

versus the right hand side ratio term in Pr the four parameters ( exponents ‘n’ and ‘m’ plus the constants ‘A’ and ‘B’ )  can be determined by linear regression! The left hand side ratio signifies the relative deviation of the ‘Z’ factor from the ideal gas one. Having determined the four constants, the compressibility factor ‘Zsat’ as function of the reduced pressure ‘Pr’ can be written as:

 ZsatP = 1 – ( 1-Zc ) * ( A * Pr^n / ( 1 – Pr )^m + B ) 

Upon simplification we get the short equation for ‘ZsatP’ as shown in Part I –(a). Alternatively, the saturated compressibility Factor ‘Zsat’ can be expressed as a unique function of the absolute saturation temperature as follows :  

(1-Zsat) / (1-Zc ) = A *  ( Tr * (1-Tr)  )^n  + B 

from which the four – different- exponents and constants can again be determined by linear regression which gives on rearranging:

 ZsatT = 1 – ( 1-Zc ) * ( A * (Tr * ( 1 – Tr ) )^n + B )

Note that – of course –  each of these two equations have a different set of the four parameters. The following values were arrived at: 

in the ‘ZsatP’ equation     A= 0.682  ;     B= 0  ;        n=  0.689  ;   and m = 0.076 

In the ‘ZsaT’ equation      A= – 2.1214  ;    B=  0.9305 ;    n= 0.6    and m= 0  

With the critical Z value ‘Zc’ for CO2 equal to 0.2745 (Ref. 1)  the two equations can be simplified as shown in Part I –(a).

Part III  -(b)  The Saturated CO2 Vapor Density  ‘Rhovap’

In general the saturated vapor density can be straightforwardly calculated from the Universal Gas Law when the saturation conditions of temperature and pressure as well as the compressibility factor ‘Z’ are known. In general the vapor density derived from the Universal Gas Law reads:

Rhovap = 100 * P * MW / ( Z * R * T ) 

with ‘Rhovap’ in kg/m3 ; pressure ‘P’ in Bar absolute ; ‘MW’ is the Molecular Weight of the particular gas ; ‘Z’ is the compressibility factor ; ‘R’ is the Universal Gas Constant equal to 8.31451 kJ/ kmol/deg.K  ; The factor 100 emerges because the pressure is expressed in Bar ( 1 Bar = 1000 Pa ) and ‘T’ is the absolute temperature. Applying this formula to Carbon Dioxide we get:

Rhovap = 100 / 8.31451 * 44.009 * P / (Z * T )     or in short:

Rhovap = 529.304  * P / (Z * T ) 

For example let us take the conditions of T and P for saturated conditions given in Part II where ‘T’ =280 deg.K and ‘P’ = is 41.6 Bar and the  ‘Zsat’ value of 0.645 we get:

Rhovap, sat = 529.304 * 41.6 / ( 0.645 * 280)   = 121.73  kg/m3

In summary for the case of knowing both the saturation temperature and the saturation pressure (= vapor pressure)  and having calculated the ‘Zsat’  value with the help (one of) the ‘Zsat’ equations in Part I -(a)-   the saturated CO2 vapor density can be directly calculated from the short equation as shown.

For the case that only the temperature is known and saturation occurs the saturated vapor density can be expressed as a unique function of temperature only. Thus it should be possible to correlate the ‘Rhovap, sat’  directly with the absolute (reduced) temperature.  The following corresponding state type correlation was successful in relating ‘Tr’ and ‘(1-Tr)’ and ‘ZsatT ‘ with the saturated vapor density as follows:

Ln (Rhovap / Rhoc) =  A * (  Tr^p * ( 1-Tr)^q  / Zr^n )  + B 

in which ‘Rhoc’ is the critical density in kg/m3 ; ‘Tr’ = reduced temperature and  Zr =  ZsatT / Zcrit and ‘Zc’ = 0.2745 . A linear regression yielded the following constants for CO2 : 

p =  -1.15       ; q=  0.68        n=  0.33      A = 0.7836      B =  0.1855

Note: the equation implicitly ‘encapsulates’ the CO2 vapor pressure relation with temperature! This equation can be algebraically simplified to:

Ln(Rhovap / Rhoc)=  C * ( Tc –T)^0.68 / T^1.15 / ZsatT^0.33  + B

 with Rhoc= 467.6 kg/m3  and C=  – 75.135 and B = -0.1855 and Tc= 304.1282 deg.K . The calculated vapor density has an average percentage error of 0.33% over the temperature range    218   < T  <   302 .

Part III  -(c)  The Saturated CO2 Liquid Density ‘Rholiq’

In earlier posts ( Ref.2 )   it  has been demonstrated that  an accurate correlation of the saturated liquid density can be developed  involving the reduced absolute temperature , Tr, and, surprisingly, the saturated vapor’s compressibility factor, ‘Zsat’.  In this post here we are refining such more general correlation by introducing two new variables namely: ‘Theta’ to replace ‘Tr’  and ‘Zr’  to replace ‘Zsat’.  These two variables are defined as:

Theta = ( T – To ) / Tc – To )  and  Zr = Zsat / Zc .

‘Theta’ can be seen as the relative liquid temperature progression across a pure substance’s two phase region. ‘Zr’ stands for the reduced saturated compressibility factor with ‘Zc’ being the critical compressibility factor. The new corresponding states correlation can be written in terms of ‘Theta’ and ‘Zr’ as follows:

Rholiq / Rhoc =  A * Theta^m / Zr^n + B

A linear regression on the Span & Wagner data for CO2 yields the following constants:   A = – 1.5244  ; B = 2.5244  ; m= 1.00  ;  n= 0.646

Thus, for CO2 this corresponding states equation reads:

Rholiq / Rhoc =  – 1.5244 * Theta / Zr^0.646 +  2.5244

We can write out ‘Theta’ and ‘Zr’  out in terms of their definitions:

Rholiq / Rhoc =  – 1.5244 * (T-To) /(Tc-To ) / (Zsat/Zc)^0.646 +  2.5244

Next, substituting the physical property constants for CO2  into this equation with

To =  216.592 deg.K   ;  Tc =  304.1282  deg.K    ;    and   Zc =  0.2745  and further algebraically simplifying gives the short equation shown in Part I -(a)

Rholiq =  – 3.53267 * (T-To)  / (ZsatT^0.646)   +  1180.409

The relative percentage error in the prediction is 0.08% over nearly the entire two phase region of 218 to 302 degrees Kelvin.

Part III  -(d)  The Saturated  Liquid Enthalpy  ‘hliq

The  enthalpy of saturated liquid Carbon Dioxide can be written, in analogy with the density,  in terms of the same general equation with ‘Theta’ and ‘Zr’ as variables as follows: 

hliq / hc =  A * Theta^m / Zr^n + B

in which ‘hliq’ = the saturated liquid enthalpy  in units of kJ/kg  and ‘hc’ =  the critical enthalpy.  The four constants in this corresponding state correlation have of course different values from the density correlation equation! For the pure substance Carbon Dioxide, CO2, a linear regression on the Span & Wagner data (Ref.1) yields the following constants:    A = 0.977  ; B = 0.0  ; m= 1.00  ;  n= 0.304  ; Simplifying this equation by substituting CO2’ physical properties constants gives us as short equation:

hliq  =  1.90 * ( T- To ) / ZsatT^0.304 

The relative percentage error is 0.22% .

Part III  -(e)  The Saturated CO2 Vapor Enthalpy  ‘Hvap

The saturated vapor enthalpy can also be described with the two variables ‘Theta’ and ‘Zr’   just as for liquid enthalpy. In a previous post (  ref. 3  of 19 aug 2015) the development of the following equation has been described in detail. It reads:

<Hvap>sat = A * Theta^m * Zr^n  + B                                      Eq.III e- 1                   

in which the symbol ‘<Hvap>sat’ stands for :

<Hvap>sat = (Hvap – Ho * ZsatT) / ( Hc – Ho * Zc)              Eq.III e -2

Note that this expression (Eq. III e-2) contains two variables and three physical properties constants.  From combining we find as the general expression for ‘Hvap,sat’ :

Hvap,sat =  Ho * ZsatT  +   (Hc-Ho * Zc) * ( A * Theta^m * Zr^n  + B)   Eq.III e -3

This general expression can be applied to pure Carbon Dioxide using the data of Span & Wagner for saturated conditions. The left hand side ‘<Hvap>sat’  expression (Eq.III e-1) is calculated and subjected to a linear regression against the right hand side containing the variables ‘Theta’ and ‘Zr’. This yielded the following four constants: A = 0.833    ; B =  0.1821     ;     m = 1.1      ; and  n= 0.0 

Substituting these four ‘right hand side’ constants :

Hvap,sat =  Ho * ZsatT  +   (Hc-Ho * Zc) * ( 0.833 * Theta^1.1 * 1  + 0.1821)

Next, upon substituting the physical property constants Ho = 350.376 kJ/kg , Hc =252.21 kJ/kg and Zc = 0.2745   we get for the factor  Hc-Ho*Zc  the value 156.032  ; and hence the short equation becomes:

Hvap,sat =  350.376 * ZsatT  +   0.94946 * (T-To)^1.1    + 28.413

The average relative percentage error for the calculated values with this equation is 0.16%.  Note:  if  ‘ZsatP’ is used the average error% shows to become as low as 0.06% !

References.

-(1)  Span and Wagner :  J.Phys.Chem.Ref.Data, Vol 25,No6,1996, p.1509

-(2)  liquid density with Za check  ; link to post dated 21 Jan 2015

-(3)  development post  of 19 Aug 2015 ; link to post dated 16 Aug 2015

Appendix 

A : Some Carbon Dioxide ‘s Thermo-Physical Properties  :

(taken from Span & Wagner, Ref.1 )

Mol. Weight :   44.009  kg/kmol

Triple point :     Temperature :  To =  216.592 deg. Kelvin ; Pressure  5.1795  Barabs

Critical Temperature:  Tc = 304.1282 Deg. K

Critical Pressure:   Pc = 73.773 Barabs

Critical Density:  Rhoc =  467.7 kg/m3

Critical Compressibility Factor:  Zc = 0.2745

B:  Excel Spreadsheet link with short equation verifications

C :  Graphical representations of the equations (a) to (e) in Part I

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Superheated Supercritical Steam Enthalpy Calculation Enhanced Formula for Pressures from 15 to 300 Bar abs.

The superheated steam enthalpy calculation formula presented previously has been augmented by adding a new “enhancement factor” (“Fe”) to extend the applicable pressure range to reach into the supercritical.

The enthalpy of superheated steam for the pressure range of 1 – 140 Bar absolute that was presented in a recent post and is shown here again:

 Hsteamsup = 1892 + 4.52 * Zpbe-H2O * R / MW * T 

The symbols have the following meaning: Hsteamsup is the Enthalpy H of superheated steam in kJ /kg ;  Zpbe-H2O  is the steam compressibility model Z factor presented previously; R is the Universal Gas Constant with value of 8.3145 kJ/kmol/oK  ; MW is molecular weight of water is 18 ; T the absolute temperature in degrees Kelvin. The average percentage error compared with Grigull Steam Tables data is 0.23 % over the following pressure and temperature ranges:  1 < P < 140 Bar abs and  373 < T  <  973 degr. Kelvin.  

The new enthalpy formula for superheated supercritical steam

The equation for superheated supercritical steam enthalpy “extends” the above equation with the enhancement factor Fe  that reads as follows :

Fe = 1.373 * P^0.0128 / T^0.0561 

with P in Bara and T in degrees Kelvin. And hence the new equation for superheated supercritical steam enthalpy reads:

Hsup-htd-crit = 1892 + 4.52 * Zpbe-H2O * R / MW * T  * (1.373 * P^0.0128 / T^0.0561)

Hsup-htd-crt is the enthalpy of superheated supercritical steam expressed in kJ/kg. The average percentage error in the calculated enthalpy compared with Grigull Steam Tables is 0.14 % over the following pressure and temperature ranges:  15 < P < 300 Bar abs and  450 < T  <  750 degrees Kelvin.   Note: Zpbe-H2O is calculated as:

Zpbe-H2O= Keq/ (1-Keq)  with Keq= 0.3411 / Tr^4.111 * Pr (see previous posts!)

A graph of this new enhanced formula has been plotted in the excel chart shown below.

Enthalpy of Superheated Supercritical Steam calculated with enhanced formula
Enthalpy of Superheated Supercritical Steam calculated with enhanced formula

The graph shows the calculated values as dark blue diamonds and the Grigull Steam Table data as purple squares.

A copy of the excel file with the Steam Table values plus this new equation‘s calculated values compared to the Steam Table is given in the following file:

‘=======End Posts ‘====================END

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Compressibility Factor Z for sub-critical pressures for Lee-Kesler’s “Simple, Normal Fluids” Z-LK with a new set of equations for Excel Spreadsheets

This post presents a set of simple, compact equations to calculate the Compressibility factor Z based on Lee-Kesler’s original publication stating:  Z-LK  = Z(0)  + Omega * Z(1). The symbol Z(0) stands for the compressibility factor contribution of a “Simple Fluid with Zc = 0.2901” and omega is the “Acentric Factor” while Z(1) stands for the residual contribution to the Lee-Kesler compressibility factor  Z-LK.  

The formulas in this post are shown in excel style format with symbol ” * ” stand for multiplication and ” ^ ” for raising to the power. A pdf version of this post is provided in the following link:

(1) The equation for Z(0).

The following equation allows the Z(0) to be directly calculated from the reduced temperature Tr , and reduced  pressure Pr :

Z(0)  =  1 – ( 0.329 / Tr^3.30 * Pr ) / ( 1 –  0.329 / Tr^3.30 * Pr  )

This equation is valid for the following conditions:  0 < Pr < = 1 and   0.8 <  Tr < 2. The average absolute average percentage error compared to Lee-Kesler’s  Z(0) Table values  is 0.30%.  For details about the development of this equation see the earlier posts referenced in [Ref. 1] and [Ref. 2].

(2) The equations for Z(1).

The meaning of Z(1) is described by Lee-Kesler in [Ref.3] as ” the deviation of the compressibility factor of the real fluid (characterized by omega) from Z(0)”.  Z(1) is a function of the reduced pressure and reduced temperature. Its values have been tabulated in the referenced publication. The following equations capture these values for the sub-critical reduced pressure range 0 < Pr < = 1.      

Z(1) =  A * Pr^2  + B * Pr   

in which A and B or sole functions of reduced temperature Tr. For the reduced temperature range of:  1  <  Tr  <  2 holds:

A =   0.3551 * Exp( -1.4313 * Tr^2.35 ) 

B =  0.21079 – 0.20836 * Tr^-7  – 0.1212

and for the reduced temperature region of:  0.8  < T  < = 1   holds:

A = – 0.8668 + 0.8611 * Tr^3.6          

B = – 0.05 – 3.145 * Exp ( – 5.1554 * Tr^4 ) 

A graphical representation of Z(1) calculated with these five equations is given in  Section (4) of this post. 

(3) Examples of Application in an excel spreadsheet.

The above formulas can straightforwardly be used in the cells of a spreadsheet. No need for special excel calculation tools. The following Diagram shows a block of cells showing the inputs and the steps with the above equations to calculate for pure n-Butane the Lee-Kesler compressibility Factor “Z-LK” for a series of reduced pressure and temperature conditions. The results are compared to experimentally determined Z factor data based on [Ref.4].

The next block of cells shows calculated Z-LK values for pure Carbon Dioxide. Note here that for reduced pressure of 1.3555 i.e. slightly beyond the formal validity pressure range still reasonable predictions are made. (exptl Z values from [Ref.5] )

Block of spreadsheet cells showing calculation steps of Lee-Kesler compressibility factor Z-LK for n-Butane and Carbondioxide.
Block of xcel spreadsheet cells showing calculation steps of Lee-Kesler compressibility factor Z-LK for n-Butane and Carbon dioxide

The next Diagram shows calculated Z-LK values for superheated steam where the calculated Z-LK values are compared with the experimental Z values from [Ref.5].

Block of xcel cells with input and calculation steps for Lee-Kesler compressibility factor Z-LK for superheated steam
Block of xcel cells with input and calculation steps for Lee-Kesler compressibility factor Z-LK for superheated steam

(4) Graphical representation of Z(1) with the help of the correlations in section(2).

The following Excel Chart shows the Z(1) values calculated with the above correlations are shown as continuous blue lines. For comparison sake the Z(1) values from the Lee-Kesler Table for Z(1)  are co-plotted and marked as red square points in the Chart.

Chart Z(1) versus reduced pressure Pr Lee-Kesler Table data correlated.
Chart Z(1) versus reduced pressure Pr Lee-Kesler Table data correlated.

(5) References.   

[Ref.1]  Post  dated Nov 16, 2020 titled: “Two Simple yet Accurate Equations for Calculating the Fugacity Coefficient Phi and the Gas Compressibility Factor Z.     

[Ref.2]  Post  dated May 26, 2021 titled: Lee-Kesler Simple Fluid ( Zc 0.2901) Compressibility Z Factor for sub-critical pressures with the Z-pbe Equation in Excel Spreadsheets”.       

[Ref.3]  Lee and Kesler ‘s publication titled “ A Generalized Thermodynamic Correlation Based on Three Parameter Corresponding States” ; AIChE Journal (Vol. 21, no 3) , page 510, May, 1975.

[Ref.4]   Buecker and Wagner, n-Butane Tables in: J. Chem. Ref. Data, Vol. 35, No 2, 2006, page 929 – 1018.     

[Ref.5]   Span and Wagner, CO2 Tables in:  J. Chem. Ref. Data, Vol. 25, No 6, 1996, page 1509 – 1596.

end Post ‘=================

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Lee – Kesler Simple Fluid (Zc 0.2901) Compressibility Z Factor for sub-critical Pressures with Z-pbe equation in excel spreadsheets.

LK compressibility factors for the sub-critical pressure region can be directly calculated with the new “ Z-pbe-LK ” equation presented here. It’s surprisingly compact formula can be easily entered in a single cell of an excel spreadsheet. The derivation of this Z-pbe model equation, as given in an earlier post, has here been applied to Lee–Kesler’s data. This new equation matches the values in the Lee-Kesler Tables with an accuracy of 0.25% on average.

The new “ Z-pbe-LK “ equation reads as follows :

Z-pbe-LK  =   1 –  (0.329 / Tr^3.3 * Pr ) / ( 1- 0.329/ Tr^3.3 * Pr)

and that is all !

As usual the formula is using ‘excel-style’ symbols for multiplication ‘ * ‘ and ‘ ^ ‘ for raising to the power. In the formula ‘ Tr ‘ stands for the reduced absolute temperature ( T/Tc ) and ‘ Pr ‘ for the reduced pressure (P/Pc). This equation yields Z factor values for the superheated vapor as well as the sub-critical vapor temperature region. In other words, this equation is valid for the following ranges: 0 < =    Pr   < = 1  and   0.8 < = Tr  < = 1.8 .

The “ dew point – line “  is the line formed by points in the “ Z-pbe-LK versus Pr diagram “  at whose pressure / temperature conditions (Pr,Tr point)  liquid phase starts to be formed . The dew point – line intersects the isotherms, of constant Tr, to mark the edge of the “ two phase liquid/vapor region “. (The dew – line is also called the “ saturation line “)

The “ Dew point – Line “ is calculated with :

Zsat-LK  =  1 – (1- 0.2901) * 0.6621 * Pr^0.667 *(1- Pr)^-0.084

This correlation equation provides the saturated Z factor value in the “ Z versus Pr diagram ” for the Lee-Kesler “ Simple Fluid “ with critical-Z factor of Zc = 0.2901.

(Note: the form of this Zsat equation is the same as was developed for Methane (Zc = 0.2859) that reads as follows:  = 1 – (1-0.2856) * 0.666 * Pr^ 0.666 * (1-Pr)^-0.088 .  And again, is also of a similar form for saturated steam see previous posts).

Next follows these two equations in the form of two diagrams.

Z-pbe-LK versus Pr  Diagrams.  The above two equations have been plotted in an excel diagram. Two versions are shown below: one version shows Z-pbe-LK plotted against Pr on a linear scale and another one plotted against Pr on a logarithmic scale. The latter allows the low reduced pressure, Pr, range to show more clearly.

Lee-Kesler Compressibility Factor Z versus Reduced Pressure plotted with the Z-pbe-LK model equation on a linear reduced Pressure scale Diagram 1.

Lee-Kesler Z Factor Z-LK plotted with the Z-pbe model equation versus Pr on a Linear scale (excel chart).
Lee-Kesler Compressibility Factor Z-pbe-LK versus Reduced (sub-critical) Pressure on a Linear Pr scale.

Lee-Kesler Compressibility Factor Z versus Reduced Pressure plotted with the Z-pbe-LK model equation on a LOGARITHMIC Pr SCALE Diagram 2.follows below:

Lee Kesler Z factor Z-LK plotted with the Z-pbe model equation versus Pr on a Logarithmic scale
Lee-Kesler Compressibility Factor Z-pbe-LK versus Reduced (sub-critical ) Pressure on a Logarithmic Pr scale

Additional Notes The dew point – line can also be derived from  the Z-pbe-LK equation in combination with a vapor pressure equation, for example with Lee-Kesler ‘s vapor pressure correlation that requires as input the Reduced Temperature, Tr and the Acentric Factor, omega, that characterizes a substance’s vapor pressure behavior !

 A ‘live’ spreadsheet will be made available, containing all cell formulas plus the generated two diagrams shown above plus the excel Table with Lee-Kesler data including added interpolations!

Note a PDF version of of this post can be found here https://mychemengmusings.files.wordpress.com/2021/05/lee-kesler-simple-fluid-zfactor-1-publ-.pdf

References

https://onlinelibrary.wiley.com/doi/pdf/10.1002/9781118275276.app4

End of post ==============================

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Calculate Superheated Steam Enthalpy and Density with new ‘Zpbe’ equation for Pressures 1 – 140 Bar and Temperatures 100 – 700 Degr. Celsius.

The newly discovered and modeled Zpbe equation as described in the previous post of  16 Nov 2020 [1] allows the compressibility factor Z to be calculated directly from a corresponding states relation written into a single cell of an (excel) spreadsheet for components with a  Zc factor equal or close to 0.27.

In this post the Zpbe equation has been modified, in particular the temperature dependence, to allow application to Water which has a very different critical compressibility factor of Zc = 0.2294. With the help of this new Zpbe-h2o equation it is shown here that the Superheated Steam Enthalpy and Density can be straightforwardly calculated with high accuracy over a wide range of Superheated Steam pressures and temperatures.

a pdf version of this post (including attachments ) is given here https://mychemengmusings.files.wordpress.com/2021/02/calculation-of-superheated-steam-enthalpy-and-density-with-new-zpbe-4feb2021-fin-publ-1-2.pdf

Three equations will be presented below: 1) the Enthalpy of superheated Steam and 2) the Density of superheated Steam and 3) the Zpbe-H2O equation for superheated Steam.

Part I  The three Equations

— 1 –The enthalpy of superheated steam can be calculated from:

Hsteamsup = 1892 + 4.52 * Zpbe-h2o * R / MW * T  ………( Eq. 1)

The symbols have the following meaning: Hsteamsup is the Enthalpy H of superheated steam in kJ /kg ; R is the Universal Gas Constant with value of 8.3145 kJ/kmol/oK  ; MW is Mol. weight water is 18 ; T the absolute temperature in degrees Kelvin. The average percentage error compared with Grigull Steam Tables is 0.23 % over the following pressure and Temperature ranges:  1 < P < 140 Bar abs and  373 < T  <  973 degr. Kelvin.

–2 –Density of superheated Steam:

Dsteamsup =  P * 100 * MW / ( Zpbe-h2o * R * T )  …………..(Eq.2)

The symbols are: Dsteamsup is the superheated steam density in kg per m3 ; P is the absolute pressure in Bar absolute ; other symbols as in equation (Eq.1). The average percentage error is 0.16% over the same range of conditions.

— 3 –The compressibility factor Z for Superheated Steam:

Zpbe-h2o = 1 – 0.3411 / Tr^4.111 * Pr / (1 – 0.3411 / Tr^4.111 * Pr) …..(Eq.3)

The symbol Zpbe-h2o stands for the compressibility factor of superheated steam ;         the symbol Tr stands for the reduced Temperature equal to T / Tc in which the      critical temperature is 647.14 degrees Kelvin ; and Pr stands for the reduced pressure  equal to P /Pc in which the critical pressure is 220.64 Bara abs. The      average percentage error in calculated Z value is 0.16% ! 

Part II  Some Calculation examples

To calculate the superheated steam enthalpy we begin first with Eq.3 to calculate the  Z factor value for the pertinent conditions of practical interest.

(a) for a Steam Temperature of 375  oC   and a Pressure of 60  Bara, with approx 100  degrees Celsius of superheat ;  the reduced temperature Tr = 1.001576  and the reduced pressure  Pr =  0.271936

Zpbe-h2o = 1- 0.3411/ 1.00158^4.111 * 0.27194 /(1- 0.3411 /1.00158^4.111 * 0.27194)

 = = =>   Zpbe-h2o = 0.8985   The Steam Table value is 0.9001.

(b) Summary Table of other examples

Oper. Press. (Bara) 15456090200
Oper.Temp. (deg.C)300400400450500
Degr.Superheat102143125147175
Zpbe calc0.9600.9370.9140.9030.902
Z steam Table0.9620.9380.9150.9030.901
Hsteamsup30413209317732563348
H steam Table30363204317732563348
Dsteamsup5.9015.4721.1229.8537.29
D steam Table5.8915.4521.1029.8637.13
H in kJ/kg and
D in kg/m3
Other Calculation examples Superheated Steam Enthalpy , Denisity and Z factor

Part III  The Basis for the new Zpbe-h2o Equation for superheated Steam

In the previous post a new expression was found for the compressibility factor Z based on considerations and numerical data for the fugacity and the Z factor for compounds with a critical Z factor of 0.27. This equation was named the “Zpbe” equation. The form of this equation inspired a theoretical derivation for this equation (see post). This equation can be cast in the following form :

Zpbe = 1 –  Keq * Pr / ( 1- Keq * Pr)

in which Keq is the equilibrium constant.  For compounds with a Zc of 0.27 the equilibrium constant equals  Keq = 0.333 / Tr^3.905.

The question was how can this equation be applied to compounds with very different Zc ?  A compound like Water with its very low Zc of 0.2294 ? Or for Lee-Kesler’s  “ Simple Fluid with Zc=0.2901 “  ?

The answer was found in the realization of what the meaning of the equilibrium constant is, what it represented! In the developed model it stood for the ratio of fraction of molecules behaving like ideal gas and the fraction of molecules undergoing attraction forces; both fractions of gas molecules are present in any real gas mixture below the critical temperature ( Tr < 1.0 ).

Thinking of ideal gas we must think of gas particles only possessing kinetic energy! This means the mass and the velocity of the particle are influencing it’s kinetic energy.  Thus the mass hence the Molecular weight and the absolute temperature (no. of degr of freedom * kT ) must influence the fraction of  gas molecules behaving like ideal gas molecules in that real gas mixture at the given T and P ! And hence affect the equilibrium constant Keq.

This reasoning lead to concluding that each compound has its own   Keq relation. The original equilibrium relation for compounds having a critical compressibility factor equal or close to Zc =0.27 was found to be : 

Keq = Ck / Tr^m     with Ck = 0.333 and exponent m = 3.905        

For Water,  superheated Steam over a Temperature range of  100 – 700 oC and Pressures of  1 – 200 Bar abs I found:

            Keq = Ck / Tr^m      with Ck = 0.3411 and m = 4.111

Similarly for Lee Kesler’s “Simple Fluid Zc = 0.2901 “  I found

            Keq = Ck / Tr^m   with Ck =0.320  and m = 3.20

This latter relation I will come back to in a future post.

Ref. [1]   Post of 16 Nov 2020 titled “Two simple yet accurate equations for calculating the fugacity coefficient phi and the gas compressibility factor Z.  

Two Simple yet Accurate Equations for Calculating the Fugacity Coefficient Phi and the Gas Compressibility Factor Z

 Attached excel  worksheet  Superheated steam  Table values plus calculations (2 pages)

End post.

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Two Simple yet Accurate Equations for Calculating the Fugacity Coefficient Phi and the Gas Compressibility Factor Z

In this post two new powerful equations are presented one for the Gas Compressibility Factor ‘Z’ and one for the Gas Fugacity Coefficient ‘phi’. Both give excellent prediction results for the sub-critical reduced pressure region and superheated vapor region. These two equations are surprisingly simple, allow direct calculation without the need for iterations hence easy to implement in spreadsheets or used on handheld devices and calculators! The two form a thermodynamically consistent pair. Three Charts have been prepared mapping out the predictions made with these equations.    Numerical calculation examples are given including for superheated Steam, Ethane, Propane and Propylene. The basis for each of these equations is presented in Part III of this post giving ample attention to the basis on which these equations rest and their validation against measured data.

The first new equation for the gas fugacity coefficient ‘phi’ is in the form of a corresponding states correlation with reduced pressures from 0 = < Pr < =  2 and reduced temperature  0.9 = < Tr < = 2 . The Phi isotherms show a linear dependency on the reduced pressure!  Usually the gas fugacity coefficient ‘phi’ is obtained by laborious (programmed) calculations using equations of state (EOS) like the Soave-Redlich-Kwong (SRK) or the Peng-Robinson (PR) or other elaborate (sets of) equation. This new equation’s predictions are within 0.4 % of the Hougen Ragatz Chart.

The second new equation presented in this post is a new and surprisingly simple formulation of the Gas Compressibility factor Z and its dependence on reduced temperature Tr and reduced pressure Pr!  It is based on- and has been derived from the new equation for ‘phi’.   Whereas the common route to obtain values for the compressibility factor Z is via equation of state formulations such as the “van der Waals” (vdW) equation or one of its sophisticated derivative formulations such as the SRK and the PR  EOS , the new formulation for Z presented uses the thermodynamic ‘definition’ of phi in reverse.(see part III below).  In addition Part III also describes a new conceptual model for the compressibility factor Z of a real gas that gives a theoretical, conceptual underpinning of the form of equation for Z as arrived at via the linear equation of ‘phi’. 

  • This post is divided in three parts:
  • PART I The Two Equations.
  • Part I  -a The Gas Fugacity Coefficient ‘Phi’ Equation
  • Part I  -b The Gas Compressibility Factor Z  (‘Z-pbe’ equation).
  • Part I  -c Graphical representations of these two equations.
  • PART II  Numerical application examples.
  • Part II -a Numerical examples for the Fugacity Coefficient Phi
  • Part II -b Numerical examples for the Compressibility Factor Z
  • PART III Basis for the Two Equations
  • Part III  -a  the basis for the new fugacity coefficient’s equation.
  • Part III  -b  the basis for the new gas compressibility Factor Z equation.
  • Part III  -c  a conceptual model for  the new Z equation.
  • Appendix -A  Table: Comparison of  Z-pbe equation with Lydersen data.
  • Appendix -B    The ‘marked up’ Hougen – Ragatz Chart.

A pdf version of this post is given  here      https://mychemengmusings.files.wordpress.com/2020/11/two-simple-yet-accurate-equations-for-the-fugacity-coefficient-phi-and-compressibility-factor-z-fin-publ-.pdf

PART I The two new equations

Please note the formula’s given below are in ‘excel’ style notation using as multiplication symbol ‘ * ‘ and for an exponent (raising to the power) the symbol ‘ ^ ‘.

Part I -a The Gas Fugacity Coefficient ‘Phi’ Equation.

The gas fugacity coefficient ‘phi’ is equal to 1 for very low pressures. Consequently, for example, in volatility calculations the fugacity, being the product of the fugacity coefficient and the absolute pressure, equals the absolute (partial) pressure of the substance or compound.
For low to moderately high pressures, say for reduced pressure from 0.1 to 1 or 2, the thermodynamically effective pressure, the fugacity ‘f ‘, is lower than the measured absolute gas pressure P: f = phi * P in which phi < 1 . The following equation in corresponding states format allows you to directly calculate phi :

Phi = 1 – 0.333 / Tr^3.905 * Pr …………………………………………(Eq. I-1)

in which Tr is the reduced temperature equal to T / Tcrit and Pr the reduced pressure equal to P / Pcrit. This correlation is based on generalized data with Zc = 0.27 ; this correlation is valid for 0.9 =< Tr <= 2 and 0 = < Pr < 1.5 -2 .
The average percentage error in the calculated results is 0.41 % compared to the Hougen – Ragatz Chart (see appended chart ).
For clarity sake I will repeat the above formula in “math type formula format” (in pdf only)

Part I -b  The new Gas Compressibility Factor Z  Equation “Z-pbe”.

The gas compressibility factor Z signifies the degree a ‘real’ gas deviates from an ‘ideal’ gas. For a real gas the compressibility factor is in most cases smaller than 1, reflecting the fact that intermolecular attraction forces do reduce the volume the gas exhibits for a given set of pressure and temperature conditions ( Z = V-real / V-ideal). The following equation was derived from the above fugacity correlation (see Part III -b). It is a surprisingly simple and explicit equation that allows direct calculation of the Z factor without the need for iterative calculations, easy to implement in an excel spread sheet as a ‘single cell’ formula and no need for the ‘solver’ tool in excel : 

 Z   =   1 –  (0.333 * Pr / Tr^3.905) / ( 1 – 0.333 * Pr / Tr^3.905 )  ……(Eq. I-2)

in which:  ‘Tr’  is the reduced temperature  and  ‘Pr’ is the reduced pressure. This equation is valid for the following conditions:   0  <= Pr  < = 1  and  0.9 < =Tr < 2 . It predicts the compressibility factor Z values with excellent accuracy of  0.41 % compared to the Lydersen measured data (Zc = 0.27).

It is interesting to note that Eq. I-2 not only has a semi-empirical basis, but I found it can be developed along theoretical lines with the conceptual model described in Part III –c !

PART I -c  Graphical representations of these two equations.

The Gas Fugacity Coefficient  Phi  Equation ( Eq. I-1) calculation results have been plotted on a semi-logarithmic scale versus the reduced pressure ‘Pr ’ in the following Chart (click to enlarge):   

Gas Fugacity Coefficient Phi vs Pr  log scale
Fig. 1 The Fugacity Coefficient Phi plotted versus reduced pressure Pr on a log scale

 Fig 1. The isotherms of the fugacity coefficient phi versus log Pr from Eq.I-1.

Note how the isotherms of Phi , that according to Eq. I-1 are linear in Pr, present themselves as curved lines on the semi-log plot (compare the Hougen – Ragatz Chart in Appendix -B).

In the next Chart of Fig.2 the gas compressibility factor Z  calculated with Eq. I-2 ( Z-pbe) has been plotted  on linear scales for Pr < =1 as follows (click on Chart to enlarge):  

Gas Compressibility Factor Z vs Pr linear scale
Fig.2 The new Compressibility Factor Z equation plotted versus reduced pressure Pr on a lin scale

Fig 2.  Isotherms of ‘ Z’  by the new compressibility factor Z equation  Eq. I-2  (Z-pbe).

Note how the isotherms of Z  according to Eq. I-2 show themselves on this linear plot as slightly curved with downwards sloping lines.

The predictions with the Z-pbe equation for Z (Eq. I-2) have been compared to the digitized data from the Lydersen Chart that is based on measured data. I found for the reduced pressure range of 0< Pr < 1  that the average percentage error was  0.5 %.  The comparison with Lydersen’s data has been further extended to reduced pressures above the critical point to check to what extent the Z-pbe equation’s predictions hold up. In addition its predictions were compared to values obtained from the Soave-Redlich-Kwong (SRK) EOS  (See Table in Appendix-A for details).  These comparisons have shown that its predictions for reduced pressures above (Pr >=1) still give reasonably accurate results as long as the isotherms for Z  are not too closely approaching their inflexion points between the falling and rising of the isotherm. The eventual rising of the Z values at higher reduced pressures ( Pr >> 1 ) can be explained by the repulsive intermolecular forces to become dominating the fluid ‘s P-V-T behavior. (see previous post with a correlation for Z for supercritical reduced pressures).    

Therefore it is of interest to also plot the values predicted with the Z-pbe equation  (Eq. I-2)  on a semi-logarithmic plot with the reduced pressure ranging from 0.1 to 10  and plot them to the extent of their range that give still reasonable good predictions (see Table in Appendix for error%) .

The isotherms calculated with the new compressibility factor equation ‘Z-pbe’ ( Eq. I-2) are shown in the next Chart up to the pressure level where the approach to the inflexion point starts to diminish the predictions’ accuracy and plotted on a semi-logarithmic scale.  

Gas Compressibility Factor Z vs Pr  logarithmic scale
Fig. 3 The new compressibility Factor Z Equation ‘Z-pbe’ plotted versus Pr on a semi- logarithmic scale

Fig 3.  Semi-log plot Isotherms of the new compressibility factor Z equation (Z-pbe).

See Part II -B for numerical examples and comparisons with Lydersen data and predictions from the SRK and PR equations of state ! A more complete comparison table giving error% determination is shown in the Appendix.

PART II Numerical Calculation Examples

Part II -a      Numerical Examples for the Fugacity Coefficient Phi

Gas Fugacity Coefficient Phi for pure compounds. Example calculations.

Example 1. For pure STEAM  at  300 oC and 70 Bar abs.
Critical properties of Water:  Tc = 647.1 oK   ; Pc = 220.6 Barabs 
Reduced Temperature Tr = (300+273.15)/ 647.1 = 0.8857
Reduced Pressure Pr = 70 / 220.6 = 0.3173
==> Fugacity Coefficient Phi = 1 – 0.333/ 0.8857^3.905 * 0.3173  = 0.830     
Comment :  phi obtained from PR EOS: phi= 0.828 ; SRK EOS: phi=0.839
first example for phi calc superheated Steam at 300 deg C and 70 bara
   Example 2. For STEAM  at  500 oC and 140 Bar abs.  
 Tr =  1.1948    and     Pr = 0.6346  
==> Fugacity Coefficient Phi = 1 -0.333/ 1.1948^3.905 * 0.6346  = 0.895
Comment :  phi obtained from PR EOS: phi= 0.877 ; SRK EOS: phi=0.894
second example for phi calc superheated Steam at 500 deg c and 140 Bar absolute
 Example 3.  For ETHANE  at  25 oC  and  50 Bar abs
Critical properties of Ethane:  Tc = 305.43 oK  ; Pc = 48.8 Bar abs 
Reduced Temperature Tr = (25+273.15)/ 305.43 = 0.9762  
Reduced Pressure Pr = 50 / 48.8 = 1.0246
==> Fugacity Coefficient Phi = 1 – 0.333/ 0.9762^3.905 * 1.0246  = 0.625
Comment :  phi obtained from PR EOS: phi= 0.581 ; SRK EOS: phi=0.602
third example for phi calc Ethane at 25 deg c and 50 Bara
Example 4.  For PROPANE  at  85 oC  and  30 Bar abs
Critical properties of Propane:  Tc = 369.9 oK  ; Pc = 42.57 Bar abs 
Reduced Temperature Tr = (85+273.15)/ 369.9 = 0.9862   
Reduced Pressure Pr = 30 / 42.57 = 0.7047
==> Fugacity Coefficient Phi = 1 – 0.333/ 0.9862^3.905 * 0.7047 = 0.734  
Comment :  phi obtained from PR EOS: phi=0.721 ; SRK EOS: phi=0.740
fourth example for phi calc Propane at 85 deg c 30 bara
Example 5.  For PROPYLENE  at  85 oC  and  30 Bar abs
Critical properties of Propylene:  Tc = 365 oK  ; Pc = 46.2 Bar abs 
Reduced Temperature Tr = (85+273.15)/ 365 = 0.9812  
Reduced Pressure Pr = 30 / 46.2 = 0.6494
==> Fugacity Coefficient Phi = 1 – 0.333/ 0.9812^3.905 * 0.6494 = 0.767 
Comment :  phi obtained from PR EOS: phi=0.753 ; SRK EOS: phi=0.771
fifth exaample for phi calc Propylene at 85 deg c and 30 bara abs

Part II -b    Numerical Examples for the Compressibility Factor Z  (Eq. I-2)

Equation I-2 is derived from the correlation found for the fugacity coefficient (Eq. I-1) that is based on the generalized Hougen – Ragatz Chart valid for compounds with Zc = 0.27. ( see derivation in PART III-b). In the numerical calculation examples given here I will verify the results for the Z values obtained against the measured data of Lydersen et al. In addition also a comparison is done with the results generated by the SRK EOS taking n-Pentane as “model” compound as its critical Z factor is very close to 0.27 and to be precise: 0.269.

Example 1.    ‘Z-pbe’ Calculations & comparison with Lydersen ‘s measured data. for the following reduced temperatures and pressures:

Tr PrZ-pbeLydersenError
0.940.300.85430.8550.1%
0.980.700.66270.66850.9%
1.101.000.70210.70100.2%
1.300.800.89430.88930.6%
Compressibility Factor Calculations with Z-pbe Equation compared to Lydersen’s measured data

Example 2   n-Pentane   ( Zc = 0.269  ; Tc = 469.6 oK  ; Pc = 33.74 Bar abs)      

Press.Temp.PrTrZ-pbeZ-lydersenZ-SRK
BaraDeg.C
13.50187.10.400.980.83160.83250.8363
26.99196.50.801.000.63690.63700.6388
26.99337.30.801.300.89430.88930.8989
Example 2 n-Pentane Z-pbe Equation predictions compared Lydersen and Z-SRK EOS

Example 3  Superheated Steam  ( Zc = 0.2294  ; Tc = 647.1 oK  ; Pc = 220.6 Bar abs)     

Press.Temp.Deg.Sup.PrTrZ-pbeZ-Steam Table
BaraDeg.CDeg.C
1405502130.63451.2720.9100.912
14037537.50.63451.0020.7340.724
604001250.27191.0400.91580.915
Example 3 Super-heated Steam Z-pbe predictions compared with Steam Table values

It is worth noting for the example of Super-heated Steam that notwithstanding the fact that the Zc value for Water (0.229) is significantly smaller than  Zc = 0.27 on which the fugacity and the Z-pbe equation are based, we nevertheless find that good results are obtained in practice. Why ?  Because the greater the degree of super-heat of the vapor the farther away removed from the critical conditions the less influence “Zc” has on the increasing degree of ideality of the vapor!    

PART  III     Basis for the two equations.  

Part III-a The equation for The Gas Fugacity Coefficient ‘Phi ‘.

You perhaps may have wondered why I started this post with the Gas Fugacity Coefficient first and not with the Gas Compressibility Factor Z ?  In thermodynamical treatises or lectures the Equations of State expressed in the form of an equation in “Z “  are usually dealt with first followed later by the subject of Fugacity (thermodynamically active pressure) and the Gas Fugacity Coefficient ‘phi ‘. The connecting and defining equation between the two reads as :

Ln (phi) = definite Integral of (Z-1)/P dP from pressure =0 to pressure P for constant temperature.

From this integration result the fugacity coefficient “phi “is obtained, allowing the Fugacity “ f  “ to be calculated as  f = phi * P.  In general  ‘phi’ can be obtained in one of two ways. If you have an analytical expression for ‘Z’ , for example from an EOS, then via the above defining integral expression ‘phi’ maybe obtained. However depending on the complexity of the equation or correlation for ‘Z’ as function of temperature and pressure, performing this integration to obtain an analytical expression for the integral may be difficult or prove impossible. Alternately, if you have measured data for ‘Z’ as function of P and T you can do a graphical integration by determining the area under the plot of ‘Z-1’ values along an isotherm versus pressure.

The Zv correlation. Having developed the Zv correlation as function of reduced temperature and reduced pressure (see earlier post).  I was attempting to find an expression for the corresponding ‘phi’ based on that correlation. However as you can see for yourself integration of this equation is not straight forward to say the least. Next I checked out what form of equation ‘phi’ takes when based on the different equations of state (vdW , SRK , PR ) as you can observe yourself these integrations have been successfully performed but are rather elaborate and complex. 

The Hougen – Ragatz Chart for Phi versus Pr. Following this I turned to the Hougen – Ragtz Chart with plots of ‘phi’ versus reduced pressure Pr for various isotherms of Tr. (see Appended Chart). When digitizing data points along a series of isotherms (for Tr of 0.90 to 2 )  and simply plotting the data against a linear Pr scale I was in for a surprise:  all the way up to fairly high reduced pressures Pr , even beyond Pr =1,  the ‘phi‘ values showed as a precise straight line versus Pr!  Not something to be surmised when looking at the Hougen – Ragatz Chart that uses a semi-logarithmic plot of phi versus  with Pr ranging over three decades from 0.1 to 100 !  

In the Table below the linear regression results for equation ‘ Phi = A – B * Pr ‘  I obtained are given for the isotherms listed:     

TrABPr -Ranger2
2.00.9990.02320.1 – 20.9953
1.81.0010.03210.1 – 20.9955
1.50.99930.06820.1 – 20.9988
1.40.99910.08850.1 – 20.9996
1.31.00250.12500.1 – 20.9987
1.251.0020.14400.1 – 20.9984
1.21.0040.16500.1 – 20.9989
1.151.00220.19560.1 – 20.9975
1.11.00520.22920.1 – 20.9985
1.001.00780.32930.1 – 20.9970
1.001.01280.33370.1 – 1.00.9977
Constants A and B for the linear regression results of ‘Phi’ isotherms from Tr = 1 to 2

Obviously the constant ‘A’ equals 1.000  as for Pr = 0  the theoretical expectation is  Phi = 1.000.   The constant ‘B’  was correlated with Tr as :  1/ B=  3 * Tr^3.905  and hence we obtain for the fugacity coefficient ‘phi‘ the relation:

Phi = 1.00 – 0.333 / Tr^3.905 * Pr ; the equation reported in Part I as Eq. I-1

This is a remarkable simple equation for the fugacity coefficient. Granted it covers obviously only the left hand side of what appears in the Hougen – Ragtz Chart as isotherms shaped in the form of a “bathtub curve“ extending over the three decades of Pr ! This equation for ‘phi’ is very handy and useful for the low to moderately high reduced pressure range!

Part III -b The equation for The Gas Compressibilty Factor  Z  (Z-pbe).

This section of Part III describes how a new equation for the compressibility factor Z based on the ‘phi equation’ was arrived at which equation I have labeled as the “ Z-pbe “ equation. Contemplating this very simple equation for ‘phi’ then immediately the question rose in my mind what kind of ‘Z equation’ gives rise to such simple equation for ‘phi’ ? Asking myself: can you find an answer by reversing equation III-1 ?  Yes!

By realizing that: dLn(phi)/dPr = Z-1 and substituting dLn(1.00 – 0.333/Tr^3.905) /dPr = Z-1 we find for Z

Z = 1 – (0.333 / Tr^3.905) / ( 1 – 0.333 /Tr^3.905) ; see equation as Eq. I-2

Having never ever seen an expression or equation for the gas compressibility factor Z like this one, then the question became: how good is it in predicting Z values? And the answer I found was:  beyond expectation, very good! Having available the digitized data for Lydersen, an evaluation of its predictions against the Lydersen data showed that the average percentage error is 0.41%  for the following conditions    0 < = Pr < =  1    with   0.90 < = Tr  < =2 .

Interestingly I found furthermore this equation still gives reasonable results for a limited range of super-critical pressures ( Pr > 1  ; see validation calculations and checklist in the Appendix -A . Having said that the equation for ‘phi’ is remarkable and simple, I would certainly say the very same for this new compressibility factor equation.  I will refer to this equation and its predictions as the phi based equation “Z-pbe “.  Note that these two equations together form a (thermodynamically) consistent pair.

But wait there is something more to notice about equation (Eq. I-2). The fraction part of this equation reminds me of a formula in physics that looks very similar in form and shape! Which one? Answer: the ‘Langmuir equation’ that describes the process of adsorption of a compound (the adsorbate) on a solid substrate (the adsorbent). If we “see” the factor  “0.333/Tr^3.905” as a temperature dependent equilibrium constant ‘Keq’ then, as you can see for your self, this fraction looks very much similar:  

Keq * Pr / ( 1 – Keq * Pr )

How was the theoretical ‘Langmuir’ equation arrived at ? Can I try to develop a model for the compressibility factor Z as well ? The answer is yes (!) as explained in the following section.  

Part III -c The Conceptual Model for the Real Gas Compressibility Factor Z

The state of an ideal gas can be described by a combination of two intensive variables ( “P” and “T”) plus two extensive variables ( the number of kmoles “N” and the volume “V “).

P * V = N * R * T

The state of any gas, real or ideal, can be described by a combination of two intensive variables ( P and T ) plus  two extensive variables plus the compressibility factor ” Z ” .

P * V = Z * N * R * T

in which ‘Z’ is a dimensionless factor that accounts for the degree of non-ideality of the gas. With Z=1 it reflects that the real gas behaves as if it is an ideal gas in which only kinetic energy of the gas particles is dominant and is the only factor necessary to be taking into account to describe its behavior and any attraction forces between particles can be and are ignored! Hence we can see the Z factor as reflective of the interplay, the balance between the kinetic energy and the potential energy, the attraction forces in the accounting for its behavior.  

In analogy with the Langmuir approach let us conceive of the state of a real gas at a given reduced pressure Pr and  temperature Tr not as a static “(macro-) state” but as a dynamic (micro-)  equilibrium state. Just as Langmuir considers two ‘species’ interacting with each other and establishing an equilibrium, that is between the adsorbate molecules and the ‘sites’ on the solid that are capable of attracting these molecules.

In an analogous fashion we can conceive of a real gas as of consisting of two types of gas particles (atoms, molecules) present in the gas (mixture) : on the one hand there are particles behaving as ideal gas i.e. unaffected by inter-particle attractive forces and on the other hand there are the ones that are affected, that are “under the influence’’ of the mutually attracting inter-molecular forces. If we remember the kinetic gas theory saying that the velocity of gas particles is not uniform but there exists even in the ideal gas state a whole distribution of velocities (Maxwell). Some have high velocity some low. The gas temperature, as macro- property, is a measure for the average kinetic energy of the gas.      

Refreshing our memory thus, helps us to conceive of the simultaneous presence of ideal gas like behaving, high velocity particles and gas particles at the low end of the distribution that are or potentially can be under the influence of the mutual attraction force (field).  

If we look at the following sketch of Z values along an isotherm plotted against reduced pressure

Fig 4 Showing '1-Z' as attracted fraction of gas
Fig. 4 Ideal and Non-ideal Gas behavior; the meaning of ‘1 – Z’ fraction of gas

we can see that the fraction of the total of gas particles that (on average) are undergoing attraction is indicated by the value of 1-Z at the conditions of Tr=Tr1 and Pr =Pr1. This fraction thus is a function of Pr and Tr !  The lower the temperature and the higher the pressure the less the number of particles that are able to move like ideal gas particles.

Consider an amount of N kilomol gas at reduced temperature and pressure conditions Tr and Pr. Then at equilibrium a number of particles  “ I “ behave as ideal gas while the remainder of particles behave as  ‘attracted or associated gas “ A ”:  

I < ========= > A or this equilibrium described in words a number of “ideal behaved” gas particles ‘I’ are in dynamic equilibrium with the particles that are “attraction-behaved” i.e. those that posses potential energy. The rate of formation of ‘A’ is:

dNa/dt = k2 * Ni * Pr while the reverse rate of forming ‘I’ is dNi/dt = k1 * Na . We can write these in terms of the number fractions of the total gas particles “N” as “na” and “ni” thus na + ni =1 . At equilibrium these two formation rates are equal thus k1 * na = k2 * ni * Pr.

Dividing this expession by k1 and substituting (1-na) for ni we get get:

na = k2/k1 * ( 1-na) * Pr .

Defining the ratio of rate constants k2/k1 as the Equilibrium Constant “Keq” the expression for na becomes:

na = Keq * Pr / ( 1 – Keq * Pr)

With this equation we have found an expression that describes the fraction of gas particles ‘na’ , that are influenced by mutual attraction in a gas at equilibrium at Pr and Tr, in terms of reduced gas pressure and the equilibrium constant Keq.

Having pointed out above that  ‘na’  is equal to  1- Z  , thus  we find:

Z = 1 – (Keq * Pr) / ( 1- Keq * Pr )

This equation is identical to the one we derived in section III -b which was arrived at via an entirely different route,  viz. the route starting with measured data for the gas fugacity coefficient ‘phi’  and so on ! In general the equilibrium constants are a sole function of reduced temperature !

And with this equation we have developed a model for the compressibility factor Z  based on the conception of (any) real gas as an aggregate of gas particles some of which behave as if in an ideal gas (only kinetic energy) and some others behave as in a gas where attraction forces (van der Waals’ forces) come into play and determine their behavior! These two groups of gas particles are in a dynamic equilibrium for a given (static) pressure and temperature!

Appendix -A Comparison Table of Z-pbe predictions with Lydsersen data

Compressibility factor Z from Z-pbe equation compared with Lydersen data
Appendix- A Table of compressibility Factor Z from Z-pbe values compared with Lydersen data
Appendix Comparison Table compressibility factor Z from Z-pde predictions with Lydersen data -part 2
Appendix -A Comparison of Z-pde predictions with Lydersen data -part 2

Appendix – B The Hougen – Ragatz Chart of Gas Fugacity Coefficient ‘Phi’

Generalized Fugacity Coefficient Phi - The Hougen - Ragatz Chart
Appendix – B The Hougen – Ragatz Chart Generalized Fugacity Coefficient Phi

== End Post ==

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PART II Simulating a Variable Speed Centrifugal Compressor

The Simulation Modeling approach has been described in PART I and visualized in Block Flow Diagram – 4 showing two sub-models : an ideal (isentropic) compression process performed inside the compressor machine plus an Energy – or ‘Power-Loss’ process proceeding concurrently in the real, actual machine. The Simulation Model fits on (part) of a single worksheet of an Excel Spreadsheet. The compression model includes the accounting for the compression of a non-deal gas, i.e. including the gas compressibility factor ‘Z’. The energetic losses have in PART I been described by a newly developed correlation for the ‘adiabatic efficiency factor’, ‘Eta-ad’ allowing the actual, real shaft power of the compressor machine to be calculated. In this PART II a new sub-model is developed to describe and calculate the (shaft) Power Losses i.e. that part not converted into a pressure rise but into a temperature rise! With this new Power Loss sub-model the (total) shaft power requirement can be calculated without the aid of an efficiency factor!

In PART I it was pointed out that from the ‘fingerprint’ Head – Flow curve, the H* – Q* curve, the surge points of the original manufacturer’s performance curve are reduced into a single point. In a simulation the surge points and the surge line can be generated from this reduced point by doing the transformation in reverse , however no details were given.

In this PART II a detailed description of calculating the surge points and line in a simulation from the coordinates of the reduced, single point of surge is given. In addition considerations about the choke points and line are being presented.  It should be noted that the compressor simulation presented here does not require any input of detailed machine construction details neither external nor internal, except for the presence of any inter-stage cooling.  This post is long and is divided into the following parts:

‘1  Describing the principles behind the performance curves: a summary.                                 ‘2  Fingerprinting the Characteristic Performance  (Model Identification).                           ‘3  Describing the Surge Points and Surge Line in the Performance Diagram.                       ‘4  Describing the Choke Points and Choke Line.                                                                         ‘5  Notes on the Shape of the Fingerprint Curve ‘ H*fp ‘.                                                           ‘6  The Gas Power ‘Gad’ and the Unified  ‘G*ad’ Curve.                                                               ‘7  The Shaft Power ‘Ps’ and the Adiabatic Efficiency Factor ‘Eta-ad’.                                         ‘8  Fingerprinting the Overall Power-Loss Process(es).                                                                 ‘8.1  Determination of the losses during operation of compressor  “vscCR-01”.                         ‘8.2  Pressure loss and Power Loss.                                                                                           ‘8.3  Characterizing the Overall Loss Process.                                                                         ‘8.4  Fingerprinting the Overall Loss Process(es).                                                                   ‘8.5  Predicting the Power Loss.                                                                                                    ‘9  Predicting the Shaft Power in the Simulation of “vscCR-01”.                                              ’10 Upgraded and updated Simulation Excel Spreadsheet. The simulation consists of three parts on the same worksheet:                                                                                                     Part 1: Input data: Compressor Performance data ; Gas Quality data.                               Part 2 (A): Analyzing the Manufacturers data: calculation of Q* and H*.                         Part 2 (B) -1: ‘Fingerprinting’ the Performance Curves : H*fp.                                           Part 2 (B) -2:  Determination of the Surge – and Choke Points and Lines.                         Part 3: Simulation of Compressor “vscCR-01” including inter- and extrapolated speeds (7800 and 8800 rpm);  The calculation of Discharge Pressure ; Pressure Ratio;                  Adiabatic Head; Gas Power; Power-Loss; Required (total) Shaft Power.                         Images of the worksheet Part 2 and Part 3 are shown.

A pdf version of this post is given here: PART II Simulating a Variable Speed Centrifugal Compressor -4 -pdf -june 2020 publ

  • 1 )  Describing the principles behind the performance curves: a summary 

We have seen earlier that the performance of a compressor is often presented by the manufacturer in a graphical way through the ‘mapping’ of how the pressure ratio of discharge over suction absolute pressure varies with volumetric suction flow rate for a number of compressor speeds.  Alternatively the absolute discharge pressure for a given suction pressure can be ‘mapped’ for various speeds. In addition the shaft power required to run the compressor under the conditions shown on the map is given. See earlier Charts for the particular existing compressor “vscCR-01” under study.

A simulation of the performance of a compressor in an excel spreadsheet is not and should not simply be a mathematical formula(s) just capable of capturing these curves on the map through curve-fitting, regression etc. Such formula’s are ‘blind’, are devoid of ‘insight’ into the essential principles at work in a running compressor and hence ‘risky’ to use outside the strictly specified operating conditions and parameters for which the compressor performance map was drawn. Parameters such as speed of rotation, feed rate range, gas quality with its many included physical property factors etc.

For this reason we have in the previous part discussed the principles of a centrifugal compressor and its essential characteristics:

===>  a  centrifugal compressor in essence is a volume moving machine where the rotor design (impeller diameter, width , shape), in conjunction with gas quality, determines the gas volume moved per rotation.

===>  a centrifugal compressor is a head producing machine as the turning rotor causes the gas to exit the impeller’s perimeter at high velocities creating   “velocity head” that in the static part of the machine is converted into “pressure head”. (you could say “Bernoulli in operation”)

The volume of gas ‘moved’ by an impeller is determined by the fixed geometry of the impeller (diameter, width of ‘flow-channels’, number and shape of blades), the number of rotations per unit of time, the nature of the gas and how this gas flows, its ‘flow-pattern’, through the impeller.

Q1 =~ f * Qimp * S   in which ‘Qimp’  is the volume the impeller can move per rotation which is fixed as per the geometric design of the impeller, ‘S’ is the speed of rotation, ‘f ‘ is the factor characterizing the flow pattern and   ‘Q1’ is resulting the suction volume flow rate. and thus we can write :

Q1 / (Qimp * S) =~  f  ~ constant

Note :   Let us check the SI dimensions of the expression :

Q1 (m3/s) = f ( — ) * Qimp ( m3/rev) * S (rev/s )  : ‘ f ’ is dimensionless.  Other units are commonly used to obtain more easily ’handled’ numbers, like like Q1 in m3/hour and ‘S’ in rev/min or rpm. When these are used in this equation it means having to introduce additional constants to keep  the equation whole and numerically consistent!

The ‘head’ producing capability of the compressor also roots in the geometric/mechanical design of the rotor and stator, the impeller(s) in particular. We have chosen to model the compressor as performing an adiabatic compression of a real gas.  The impeller produces an adiabatic head ‘Himp’ (expressed in kJoule/kg)

Himp =~ 4*pi^2 * S^2 * D^2  in which ‘S’ is the speed of rotation, and ‘D’ the impeller’s diameter. The volume moving capability is proportional to the speed of rotation, while the head is proportional to the square of the speed ! Higher speeds benefits higher heads stronger.

The total adiabatic head ‘Had ’ produced by the machine (impeller+diffuser) is influenced by the overall flow pattern through the machine (combined rotor and stator parts):      Had =~ Himp * hf  in which ‘hf ’ is the factor characterizing how the overall flow pattern       is affecting the ‘production’ of adiabatic head  ‘Had ’ generated by the machine.

Had=~ hf * 4pi^2 * S^2 * D2   and  thus    Had/(4*pi^2*S^2* D^2) =~ hf   ~ constant

Note:  Let us check the SI dimensions : Had (kJ/kg) = hf’ (–) * 4 pi * S^2  (rev/s)^2 * D^2 ( m2 ) remember that 1 Joule=1Nm= 1kgm/s^2 * 1m  then:  Had ( m2/s^2 ) = hf (–)  * 4 pi * (1 /s) ^2 * m2  and ‘hf ’ is dimensionless.

The unique performance of the existing machine is determined by its own geometrical configuration, its mechanical construction and its unique flow patterns established that are characterized by factors  ‘ f ‘  and  ‘ hf ’  .

These equations suggest that in order to describe the “head producing” and “volume moving” capability we would need the construction details of impeller’s, rotor, stator and more to analyze the flow patterns in order to asses how they affect those two capabilities, i.e. their the performance curves and power consumption!

However, we do not have such construction details that manufacturers are very reticent to share. But wait ! At this point it’s good to keep in mind that we want to model the performance of our existing compressor, and do not want to step in the compressor designer’s shoes! We want to model the machine from a user’s perspective; we are looking from the outside in, and only want the variables we have control over to be (mathematically) described in terms of the basic principles at work in the operation of the compressor machine.

Therefore I have defined the following two variables to describe the performance curves of the existing compressor (see previous post Part I ):

Q* = Q1/S * eps-h   and H* = Had / ( S/1000)^2

in which Q*  (say Q-star)   and H* (H-star)  are reduced variables with respect  to the rotation speed ; ‘Q1’ is the suction volumetric flow rate ; ‘S’ the speed of rotation ; ‘Had’ is the adiabatic head developed at speed S and flow rate Q1  and ‘eps-h’ is defined as :

eps-h = SQRT ( 2 / ( 1 +  (P2*Z1*T1)/(P1*Z2*T2) ) )

in which ‘P2’ is the compressor’s discharge pressure, ‘P1’ the suction absolute pressure, ‘Z1’ the compressibility factor of the gas at suction side, ‘Z2’ the compressibility factor of gas at discharge conditions and T1 and T2 the corresponding absolute temperatures.  The Z factors, the gas compressibility factors, are calculated with the ‘Zv’ correlation published in earlier posts.  The ratio Q1/S, you could say, is the effective volume of inlet gas moved per rotation and ‘eps-h’ is the factor relating inlet gas density to the average gas density between inlet and outlet. The latter you could say accounts for the effect of speed on the average pressure across the machine and hence the average density of gas inside the machine! The newly defined variable ‘ H* ‘ is calculated from the adiabatic head  ‘Had’  that is in it’s turn is calculated with:

Had = Z1 * R/MW * T1 * k/(k-1) *(  (P2/P1)^(k-1)/k  -1 )

Please note that the calculation of the adiabatic head ‘Had’ in the above formula used in   the simulation model includes gas compressibility factor Z1 based on the inlet condition conditions and not based on the average of in and outlet conditions! For more on how these definitions were arrived at and used to make a “finger print” of our compressor machine see previous post with Part I.

The adiabatic Gas Power follows from:  Gad = Had * Fm in which Fm is the massflow rate in kg/s ; Had in kJ/kg and hence Gad in kW.

  •  2)  Fingerprinting the Characteristic Performance (Model identification) 

The fingerprint is the relationship describing the machine’s essential performance in terms of the reduced variables H*  and  Q*. By plotting all available performance data in terms of H* and Q* I have found that the three performance curves (speeds 5870, 7000 and 8330 rev/min) have coalesced into one single curve.  This single relationship between H* and Q*, unique to our machine, has been captured by regression in a quadratic relationship between H* and Q*. It is this curve that defines the unique, fundamental relation between H* and Q*. This relationship we have called the ‘fingerprint’ with as symbol ‘H*fp’. This curve, as shown in the previous post, can be captured by a quadratic equation:

H*fp =  A * (Q*)^2  + B * (Q*)  +  C             for   0.258 =< Q* <= 0.438

With the help of this equation the compressor’s H –Q curves can be simulated and performance map’s generated also for interpolated or extrapolated speeds.

In the previous post we drew attention to the fact that all three surge points of the three original performance curves have now been “rolled” into one single point on the unified H*fp curve and that the (original) surge points and line can be reconstructed again from this single point by doing the reduction ‘transformation’ in reverse. In this Part II  more details are is given in the following sections on the surge point and the choke point and lines, including the equations for the reverse “unpacking” of the one single points on the H*fp curve for surge and choke.  For more details on the ‘fingerprinting’ see Part I.

  • 3) Describing the Surge Points and Surge Line

No explicit information on the surge points or surge line in the performance map had been provided by the manufacturer. In the previous post, in Part I,  I had assumed that the first point (lowest volume flow, highest pressure) of each of the three curves provided by the manufacturer was equal- or close to the surge point. In this Part II,  I want to look closer into this. The H*fp variation with Q* has the shape of an inverted parabola (A is negative).The operating points with lowest flow rate on the curve are close to the “top” of the parabola while the slope of the curve gets increasingly smaller, the angle of the tangent line approaching zero degrees at the maximum of the curve.Therefore I am defining the surge point as the point where the H*fp curve is at its maximum i.e. where the slope equals zero.  The slope of the H*fp curve is:

d (H*fp)/d(Q*) = 2 A * (Q*) + B  hence at surge:  0 = 2A * (Q*surge) + B

===>      Q*surge =  – B/ 2A     and     H*fp-surge =  – B^2 / 4A + C

These are the coordinates of the (reduced) surge point on the finger print performance curve.  From these coordinates the surge points of any speed curve can be reconstructed as follows: first we need to calculate what the pressure ratio P2/P1 is under surge conditions for a given speed of rotation ‘S’ as follows :

Had,surge = H*fp,surge * (S/1000)^2(a)   Had,surge  = H*fp,surge * ( S/1000)^2

(b)    (P2/P1),surge = [ Had,surge  * MW / ( Z1 * R * T1 *  k/(k-1)  + 1  ] ^ (k/(k-1))

Note that the other points of the curve are calculated directly the H*fp fingerprint equation. The actual suction volumetric flow ‘Q1’ at surge can be calculated from :

(c)   Q1,surge = (Q*,surge) * S * 1/eps,surge   

having the calculated (P2/P1),surge value, now the factor  1/eps,surge  can  be calculated as:

(d)           1/eps,surge  = ( ½  +  ½ * (P2/P1)^(1/k) * Z1/ Z2 )^0.5

in which ‘Z2’ can be calculated iteratively (simple substitution) as is done for the simulation calculations of other points on the curve.  Note that the last equation (d) includes already the adiabatic temperature ‘T2’ calculation.

These calculations (a) to (d) have been implemented in the upgraded Centrifugal Compressor Simulation spread sheet. In Section 10 a copy of the worksheet Part 2 (B)-2 is shown.

Note   Having defined the surge point and determined its coordinates on the compressor’s “fingerprint” performance map (plotted in reduced variables H* and Q*)  we can now  describe the H*fp quadratic equation in an alternative way using these coordinates:

H*fp = H*surge – (A”) * (Q* – Q*surge )^2

in which A” = -1 * A     or inserting the numerical values of the surge coordinates:

H*fp = 0.92760 – 7.5914 * (Q* – 0.24 )^2

  • 4 )  Describing the Choke Points and Choke Line 

No explicit information on the choke points or choke line was divulged by the manufacturer either!  What do we know about ‘Choke’ ? The word itself already is very suggestive, you choke when you are overwhelmed by food or drink and cannot swallow it any more. That happens to a centrifugal compressor too when at a given speed and operating point (discharge pressure, volume flow rate) you start to increase the feed rate to the machine more and more. As the feed rate increases the outlet pressure drops (following the curve). At a certain high feed rate the outlet pressure starts to drop more steeply while the ability to process the increases in feed rate diminishes strongly until the outlet pressure falls dramatically low while the feed rate cannot be more increased: it appears as if the operation has run into a stone wall.

Why does this happen? An impeller increases the velocities of the gas flowing through it by the centrifugal forces acting on it. The velocities of the gas reach their highest value at the exit perimeter rim of the impeller. The compressor is designed for a given operating point of speed, feed rate and discharge pressure with the rotor and stator geometrically shaped to have their maximum energetic efficiency point, or in other words to have a minimum of energetic losses at that design operating speed and for that given gas quality. By more and more increasing the feed rate the internal gas velocities across the impellers consequently increase more too! The velocity increase is more prominent as the operating point moves along the curve towards lower outlet pressures and higher temperatures. When a point along the flow path inside the machine has reached a local gas velocity (likely the exit of one of the impellers) approaching the speed of sound of the particular gas, the “sound barrier” is reached. The velocity of sound cannot be exceeded! The choking point has been reached!   (as an aside here: it is interesting to note how tech- people view and see their equipment / devices they are working with: they ascribe ‘life’ to it, see it like a living thing!  it can make surging, regurgitating sounds ; it can choke on what it is fed etc   perhaps you can find more examples of similar sayings ?).

To evaluate where our compressor is with respect to the choke points or choke line we would need to look at the internal velocities, however without detailed info of the internal dimensions that is impossible. We can however calculate what the discharge internal volumetric flow rate Q2 is for a given operating point on the curve. Our model allows us to calculate the gas density Rho2 at discharge Pressure P2  and hence:

Q2 = Fmass/ Rho2  = Q1 * Rho1 /Rho2

If we calculate Q2 for all three curves provided by the manufacturer we can see an interesting picture emerge: for each of the three curves the first point indicates that Q2 equals about 0.25 m3/s, then for the next points along the curve Q2 gradually increases while the last points provided show the volume flow rates of the compressed gas Q2 are approaching a value of about 0.5 m3/s irrespective of speed and discharge pressure (P2) level generated. To be precise the last point of the speed curve at 7000 rev/min we see Q2 reaches 0.50 m3/s ; for 8330 rev/min Q2 reaches 0.56 m3/s  while for 5870 rev/min the last point (of only five) reaches 0.43 m3/s.

These observations all hint, in my mind, to the conclusion that all the last points on the manufacturer’s curves are approaching a limiting value for the Q2 volume flow rate. Without detailed construction data we cannot ascertain or estimate the highest velocities values, we can however make an order of magnitude check using the apparently converging Q2 flow rate value of 0.56 m3/s  and the fact that the speed of sound in propane at 20 Bar is around 250 m/s (see later post for this).

The last points provided by the manufacturer likely (I am speculating) are the ‘last’ points closest to their choke points that can be safely operated. Therefore for our modeling purposes I am defining the Choke point as the last point on the H*fp curve at which point the Q* value equals 0.440 (rounded value).  From this defining value of Q*,choke =0.440   we find   H*fp ,choke =  0.62389 . This value simply follows from calculation with the fingerprint equation H*fp (section 2). These two values are the coordinates of the (reduced)  Choke Point.  From these coordinates the choke points of any speed curve can be reconstructed (and hence the Choke Line) in the same way as described in Section 3 for the Surge Point and Line with equations (a) to (d).

  •  5)  Notes on the Shape and Slope of the “Finger Print” H*fp Curve   

In the above discussion of the surge point and the choke point I have referred to the shape and the slope of the performance curves and in particular to the essential,  reduced performance curve that I have called the “fingerprint” curve “H*fp ”. For example we have defined the surge point as the point where the H*fp  curve reaches its  maximum value i.e. when the slope of the tangent line to the curve approaches a value of zero, i.e. the tangent line running parallel to the Q* axis ( its angle = 0).  It is interesting to note that the slope and angle of the tangent line in the (manufacture’s given) first point on the curve has an angle of minus 16 degrees. The initial part of the curve between the newly defined surge point and this first point is hence rather ‘flat’. From a control point of view it means that a small change in head H* is associated with a much larger change in Q* value and therefore small disturbances in head caused by small, frequent variations in rotation, pressures, temperatures, gas quality – process and equipment noise – cause much larger changes in Q* and hence the  compressor operating in this part of the curve cannot “find“ and “settle” on a single, fixed operating point causing  instabilities in the operation and these maybe the precursors to surging conditions. (see Chart given below).   In the discussion of the choke point we referred to the fact that when this point is reached during the operation of a ‘campaign’ (or a test) of ‘pushing’ the feed rate as high as possible, the outlet pressure drops,  the performance curve sharply bends into a line at a 90 degree angle to the flow axis (the stone wall).

It is interesting therefore to look a bit closer at the shape and slope of the performance curve. The performance maps as presented in previous Charts of Part I can be somewhat deceiving as they look rather “flat” because of the different scales at which they are plotted! Let us examine how the slope of the “fingerprint “ curve H*fp varies with Q* .  The ‘slope’ = 2A * (Q*) + B    and the angle of the tangent line in degrees  = 180/pi * ATAN (slope).

In the following Diagram  I have plotted the H*fp equation versus Q* at equal scales so as to have a proper impression of the steepness of the performance curve. In addition also the Surge – and Choke points (as defined) are shown together with a number points marked with the angles of their tangent lines.

Fingerprint H – Q Performance drawn at equal scales plus Surge and Choke points

Diagram -1 Fingerprint H*fp versus reduced inlet Volumetric Flow rate at equal scales.

The Diagram shows for three of the 12 points the angles of their tangent lines, whereas on the right hand side of the Chart the coordinates of surge – and choke points are given.

Note that the performance curve at the choke point is already sloped downwards at angle of nearly -72 degrees!  That fact also has implications for controlling the compressor operation. Is the initial part of the curve close to the surge point nearly ‘flat’, for the end part we find the curve gets rather steep where small variations (this time ) in Q* have a much larger effect on H*  and hence instabilities here also play a larger role in the operation.

Note also : To study a potential change in the whole suction and discharge piping system of which the compressor is part, for example to save on energy consumption by the compressor, the ”system pressure loss- or resistance curve” needs to be drawn and examined in this performance diagram. In particular it is the intersection of these two curves that determine the operating point of the compressor. It is the angle between these two curves that needs to be looked at vis a vis the controllability.

  •  6)  The GasPower ‘Gad’ and the unified G*ad ‘fingerprint’ curve     

The Adiabatic Gas Power required to perform the adiabatic compression of the gas in our machine follows straight forwardly from the model calculations as already summarized in Section 1 and further detailed in Part I in the previous post!

The Adiabatic Gas Power “Gad” at a given operating point on the curve follows directly from the adiabatic compression calculations: it is simply the product of the mass flow rate and the adiabatic head ‘Had’

Gad = Had * Fm        ( kW = kJ / kg *  kg / s)

We can express this relation also in terms of the two new variables, the reduced head H* and the reduced inlet volume flow rate Q* that we introduced to find the fingerprint relation, the essential relation between the adiabatic head Had and the inlet volume flow Q1 for a given speed of our existing compressor machine under study.  The head – flow curves for the three given speeds when expressed in terms H* and Q* have now ‘coalesced’ to form one single curve, the finger print Head curve that is independent of speed. This curve can be regressed in a quadratic equation that we have labeled : H*fp the finger print equation.

Remembering that we defined as H* = Had / (S/1000)^2  and that the mass flow is Fm = Rho1 * Q1    and that Q* = Q1 / S * eps-h   we can write:

Gad =  (H*) * (S/1000)^2  * Rho1 * (Q*) * S / eps-h

Note that in our definitions of H* and Q* we have kept the following units: Had in kJ/kg , Q1 in m3/hour and S in rev/min and Rho1 in kg/m3 in order to obtain values for H* and Q* between 0 and 1. Hence to keep the units of the right hand side consistent with the left hand side (kWatt) and to avoid dealing with large numbers like S^3  additional constants have to be introduced and after rearranging the expression becomes:

Gad = (H*) * (Q*) * (S/1000)^3 * 1000/3600 * Rho1 /eps-h

By Defining  G*ad (say Gad-star) as:

G*ad  =  Gad / (S/1000)^3 /Rho1 * 3.6 * eps-h

We can simply write the relationship between adiabatic gas power, the head and flow in terms of the three reduced variables in a form analogous to the original equation directly following from the detailed adiabatic model calculations:

G*ad = (H*) * (Q*)

Now you may say that is a fine algebraic manipulation of variables and so on but so what?In answer to that: the advantage of this formulation is that we can now directly relate the adiabatic gas power at a given operating point with the finger print relation H*fp between H* and Q*  and thus:

G*ad = H*fp * (Q*)   or    G*ad = ( A * (Q*)^2 + B * (Q*) + C ) * (Q*)

From this we learn that Gad is a function of the third power of the speed and the third power in Q* (as polynomial) as well !  We have seen that the H*fp expression alternatively can be written as:

H*fp = H*surge – (A”) * (Q* – Q*surge )^2

In which H*s and Q*s are the coordinates of the surge point in the H* – Q* diagram.

With this alternate H*fp expression we can also write this relation in an equivalent but more insightful form:

G*ad = [ H*s – A” * (Q*- Q*s)^2  ]  * (Q*)

With these relations between the three reduced variables, G*ad, H* and Q*  we have extended the H*fp equation into the reduced adiabatic Gas Power relationship. The H*fp equation is based on a regression correlation of H* – Q* values obtained from the adiabatic compression calculations (see ‘Part I’ in previous post). Hence the G*ad relation is the unique fingerprint of the adiabatic gas power requirement of our machine to obtain the achieved compression performance. The values of Gad follow directly from the Had and Fm values generated by the model and thus if we plot the G*ad relation versus  Q* and co-plot the directly calculated Gad values for all three speeds for all 25  points and they should all fall at – or very close to  the G*ad fingerprint curve ! See next Diagram. 

Diagram-2  The reduced Adiabatic Gas Power “ G*ad ” versus the reduced Inlet Volumetric Flow rate Q*.

  • 7)  The Shaft Power “Ps” and the Adiabatic Efficiency Factor “Eta-ad”        

The shaft power to drive the compressor is in part consumed by the production of increased outlet pressures, being the adiabatic gas power Gad part, and the remainder absorbed by “energetic losses” incurred through concurrent loss processes. Where we have a theory to describe the adiabatic gas power part, as used in our model, there is no straightforward single piece of theory to describe the “loss” part.  There are many contributors adding to – and factoring into these energetic losses in their totality. I will come back to these in next section 8-1.

The Gas Power required to perform the adiabatic compression of the flowing gas in our machine follows straight forwardly from the model calculations as already summarized in Section 1 and further detailed in Part I in the previous post and further “extended” in section 6 of this Part II !

In our earlier analysis of the existing compressor’s performance as given in Part I we have related our theoretical calculation of ‘Gad’ to the actual required shaft power by means of the Adiabatic Efficiency Factor “Eta-ad”. Once this factor is known the shaft power can be calculated as:

Ps =  Gad / Eta-ad.     (units: kW = kW / (–)  )

‘Eta-ad’ is here the sole factor, the key to arriving at the total required shaft power to drive the compressor. This factor in one single number wraps the gas power and all the contributing flow resistances and their corresponding power losses into a single number!

No single piece of theory exists, as far as I am aware of, to predict the extent of the sum-total of these losses, although over time empirical or semi-empirical correlations of contributing factors have been developed to be able  to estimate part of these losses. The capability to predict such losses is important in particular from the compressor designer’s perspective.

Therefore through ‘looking’ at the model‘s data and the manufacturers shaft power numbers,  through trial and error I found a correlation for the adiabatic efficiency factor ‘Eta-ad’ and how it relates to the flow variable I had defined as ‘Q* ’ as follows:

Eta-ad * (S/1000)^0.39  / (Q1/S)  =  A * (Q*)  +  B      …………………………(eq.7-1)

in which the constants are:   A= -8.4625 and B = 6.082

This correlation allows the total shaft power ‘Ps’ to be calculated from ‘Gad’ with an average percentage error of 0.67%!! Not bad!  See Part I showing a Diagram where the predicted shaft power and the manufacturers quoted shaft power numbers are co-plotted to compare them in a visual way.

This “powerful” correlation I found, remarkable though it is, is only strictly valid for this compressor machine, the vscCR-01, to use as predictor!  It is a correlation of connected variables that influence each other, however it does not reveal much insight into the scope and limitations of the application- and use of this equation. Therefore if you are going to apply this correlation in the simulation of your compressor beware and be cautious.

It is for this very reason that in this PART II, that I have taken a closer look, attempting to find other ways to calculate the total shaft power requirement ‘Ps’ by focusing directly on the power losses themselves in order to get a better ‘feel’ and more insight through developing a relationship for these losses with the operating parameters and variables of the compressor. This is dealt with in the next section 8.

  • 8)  Fingerprinting the Overall Power – Loss Process(es).    

 8.1  Determination of the losses during operation of compressor  “vscCR-01” .

Energetic losses in a compressor are due to ‘flow resistances’ present along the path- way a gas follows through the machine. Both the stator and the rotor part contribute to the losses. The impeller, it’s geometric shaping and dimensioning, plays a major role in the generation of losses. Study and research over the decades have identified various types of resistances contributing to the overall loss of power experienced. Losses such as “incidence loss”, impeller “skin friction losses” and many more. Such detailed account of loss factors and how to describe these and how to calculate these in detail are of prominent importance to compressor designers and manufacturers, witness the large amount of studies published devoted to this subject.

From our perspective the question is can we find a description of how the overall, the sum-total of all these loss factors, relates to the adiabatic gas power production in vscCR-1 and how it figures into the total shaft power requirement to drive the compressor.

In PART I we have described the approach taken to formulate a Model of this variable speed compressor vscCR01.  The Simulation Model conceptualizes the variable speed compressor, shown in the block diagram 4 of Part I, as consisting of two processes occurring side by side: the adiabatic compression process and a “loss process”. This implies that the total shaft power is the sum of the gas power plus the power consumption by the ‘loss processes. The ‘Power Loss’ part hence can be directly calculated from the Manufacturer’s quoted shaft power ‘Ps’ (in kW) and the adiabatic gas power ‘Gad’ calculated with our adiabatic compression sub-model:

Ps,loss =  Ps –  Gad     (all expressed in kW)     ………..……….(eq.8-1)

Let us picture how these losses look by calculating for each of the three speeds the power losses and plot these against the suction volumetric flow rate: (click on picture to enlarge):

Shaft Power Loss for three speeds of compressor vscCR-01

Diagram-3 Shaft Power Loss for three speeds of Compressor “vscCR-01” versus Inlet Volumetric Flow rate Q1.

The graph shows the higher the inlet flow rate the steeper the rise in ‘Ps,loss’ i.e. in the part of the (shaft) power part that is not converted into a pressure rise!  The highest speed curve shows that rather dramatically! One thing worth noting in the graph is that the first part of each loss curve is rather flat! I will come back to the significance  of this observation in a future post (effect of combined incidence and friction losses)! !

Next let us focus on the 8330 rev/min speed curve in detail and see how it’s (total) shaft power, adiabatic gas power and the power loss behave when shown in one single  graph (click on picture to enlarge): 

Diagram-4  Compressor Shaft Power , Adiabatic Gas Power and Power Loss versus  Inlet Volumetric Flow  rate ‘Q1’.

The total shaft power, not unexpectedly, increases with increasing volume flow rate. The curves for the two concurrent processes: the adiabatic compression and the power loss process(es) show a very interesting pattern their curves look like they are each other’s mirror image!  And that is no coincidence as I will show later. Similar pictures are found for the two other speeds.

8.2  Pressure Loss and Power Loss

Therefore let us examine a bit the losses at a constant speed of rotation. Power added to the shaft that is “lost” towards the ultimate purpose of the machine, to raise the pressure of the gas exit stream, is a loss of pressure (increase) not achieved. The term “pressure losses” is a familiar one in the context of hydraulic flow systems and engineering science.  Thus let us start with the most well known and used semi-empirical relation to describe pressure losses across a ‘conduit’ carrying a fluid flow to aid  in analyzing the “overall’ losses:

Delta P = K * ½ * Rho *  v ^2        ………………………………………..(eq.8-2)

In which ‘Delta P’ is the pressure difference along the conduit and in which “K” is a factor characterizing the total resistance to flow through the conduit. ‘Rho’ is the fluid density and ‘v’ the average velocity.  (Note f = Fanning friction factor and 4f the Moody friction factor for pipe flow; see principles described in a future post).

In our case ‘P2’ and ‘P1’ are the compressor discharge and inlet pressures respectively; the density ‘Rho’ is not constant as we are dealing with a gas compressible flow and, as we have elaborated in section 3.2 and 3.3 in PART I,  equation eq.8-2  takes the following form:

Delta P = K * ½ * 1/ Rhoavg * (Fm/ Ac)^2

P2 – P1 = DeltaP  = K / Ac^2 * ½ * Q1^2 * Rho1^2 / Rhoavg

in which ‘Ac’ is the average cross-sectional area and ‘Rho1’ is the gas density at the inlet;  ‘Rhoavg’ is the (algebraic) average density inside the machine over in- and outlet and ‘Fm’ the mass flow rate and ‘Q1’ the inlet volumetric flow rate.                                                    Note 1: the dimension of Pressure [P1] and [P2] = N/m^2 or Nm / m^3.                         Note 2: the pressure difference here has a negative sign see comments in future post.

If we divide both sides by ‘Rho1’ the left hand side obtains the dimension of Nm /kg or Joule/kg and we get:

(P2 – P1) /Rho1 = K / Ac^2 * ½ * Q1^2 * Rho1 /Rhoavg

In PART I we have defined the ratio Rho1 /Rhoavg as “eps-h^2”  and thus:

(P2-P1) /Rho1 = K / Ac^2 * ½ * (Q1 * eps-h)^2  …………………….(eq.8-3)

The power required to drive the flow of fluid through the resistance formed by the shape and size of the conduit, we find by multiplying with the mass flow ‘Fm’ in kg/s

(P2-P1)/Rho1 * Fm  = K/(Ac)^2 * ½ * ( Q1 *  eps-h)^2 * Fm

The left hand side is the power (loss) in Watts.

By analogy we are now applying this relation to the (overall) power losses generated by the resistances posed to the gas flowing through the internals of the compressor or more precisely said: while being driven by the centrifugal forces via the diffuser to the discharge. Granted, the “conduit”, the ‘flow-channel’ through which the gas is passing from inlet to discharge is of complex form and shape for sure! Nevertheless, we equate the overall power loss ‘Ps,loss’ in the compressor with the right hand side of the equation:

Ps,loss =  K / Ac^2 * ½ * ( Q1 * eps)^2 * Fm  ………………………(eq.8-4)

Note1: Let us check dimensions when expressing in SI units:                                              Watt = J/sec =  (–) / m2 *  (m3/sec)^2 * kg/sec kgm/sec^2                                        Note2: “Ps” is the total shaft power to operate the compressor; Ps,loss the part of Ps consumed by overcoming resistances to flow and converted into heat.

The factor ‘K’ is the sum-total of all contributing resistance factors and is applied here analogous to the ‘accounting’ of resistances as is done in the ‘theory and practice’ of hydraulic systems, for instance liquids flowing through a piping system, consisting of straight long pipe fitted with a series of different “fittings” like pipe bends, pipe diameter changes, valves, orifices and so on.  The additional flow resistances that these fittings add to the total have been (semi-) empirically measured and determined and can be added to the value of ‘K’. An interesting piece of information is the fact that in hydraulic systems the factor ‘K’ is not constant, even after the accounting for the configuration of the conduit carrying the flow, but is still dependent on the mass flow rate. For example for turbulent flow through smooth long circular pipes H. Blasius found that the “friction factor” depends on the Reynolds number as follows:

“friction factor” =    Constant / Re^1/4     for turbulent flow  4000  < Re < 10^5

Noteworthy is the inverse relation ship with flow rate as indicated by the inverse Reynolds number, meaning the higher the flow rate the lower the friction factor! In the further development of equation 8-4 we should keep in mind that the factor ‘K’ itself may be a function of flow rate (volume or mass or reduced volume flow rate Q*).

‘8.3  Characterizing  the  Overall Loss Process(es).

For centrifugal compressors the different resistances adding to the overall resistance to flow are many and complex and have been studied and used in the design of compressors in order to minimize energy losses at the required – design – operating point. As said we will keep to the user’s perspective in our analysis not the designer’s and try not to ‘zoom’ too much into the detailed individual loss contributors but keep the focus on the overall losses.

The adiabatic compression theoretical part of the Compressor Simulation Model calculates the adiabatic head, equal to the difference in enthalpy of the gas between inlet and discharge, at constant entropy. The adiabatic head ‘Had’ is expressed, like enthalpy, in kiloJoule per kilogram of gas.  To analyze the loss process and fingerprint the essential, characteristic of the (overall) loss process we should therefore similarly look at the power loss per kg of gas! Let us see how the last diagram looks if we now plot ‘Had’ together  with ‘Ps,loss’ and ‘Ps’ also expressed on a ‘kJ/kg’ basis by calculation of ‘Ps,loss’ divided by the mass flow rate ‘Fm’ and do the same for ‘Ps’, all for a constant speed of 8330 rev/min versus mass flow rate as shown in the next Diagram  (click on Chart to enlarge):

Ps,loss / Fm and Had, and  Ps /Fm for 8330 rpm versus Mass Flow rate

Diagram-5   ‘Ps,loss/Fm’ and ‘Had’ and  ‘Ps/Fm’ versus Mass Flow rate ‘Fm’.

Looking at this graph immediately the steady, linear decrease of the shaft power divided by the mass flow rate jumps out! But just as striking is the fact that the “mirroring” of the adiabatic head curve with the curve of the power loss over mass flow rate has become even more pronounced and clearer!

‘8.4  New reduced variable “ H*,loss ” +  Fingerprinting the Overall Loss Process.

In the following we are searching, with the help of the last equation eq.8-4, for insight into how the losses relate to the operating conditions of flow, speed and pressure. Can we probe into these losses (without having construction details of internals) by analyzing the operating data in the same manner as done for the performance curves and adiabatic gas power modeling? And the answer is yes!  How? By trying to find the unique relationship describing the losses, a unified, “fingerprint” relation for the overall resistance factor “K” that according to eq.8-4 lies at the core of the overall loss phenomena exhibited by this compressor.

Let’s express the power loss in kJ/kg by taking eq.8-4 and dividing both sides by the mass flow rate ‘Fm’ and we get:

Ps,loss / Fm =  K / Ac^2 * ½ * ( Q1 * eps-h)^2

Note: the dimension of the left hand side:  kW /(kg/s) = kJ/kg.  If in analogy with our definition of the reduced adiabatic head H* = Had /(S/1000)^2 (in kJ/kg/ (rev/min)^2) we again divide both sides but this time by (S/1000)^2  we get:

Ps,loss / Fm / (S/1000)^2  = K / Ac^2 * ½ * ( Q1 * eps-h)^2 / (S/1000)^2

and remembering and including the definition of Q*  in PART I and rearranging we get :

Ps,loss / Fm / (S/1000)^2  =1E+6 * K / Ac^2 * ½ * ( Q* )^2  ……………..(eq.8-5)

On the left hand side we have the energetic losses expressed as a new reduced variable with on the right hand side an expression involving the reduced volume flow rate Q*.

Therefore I am defining the left hand side of eq.8-5  as  “H*loss” .

H*loss = Ps,loss/Fm/(S/1000)^2 = 1E+6 * K / Ac^2 * ½ * (Q*)^2   ………(eq.8-6)

The question now is does this equation describe the power losses shown in the first Diagram of ‘Ps,loss’ versus inlet volumetric flow rate ‘Q1’?  If indeed the factor ‘K’ , the overall resistance to flow, is a constant the answer should be yes, because we have here the essential relationship of energetic losses with the square of the flow rate. This means that if for all three speeds and all points we plot the left hand side, ‘H*loss’ versus Q* we should get all data points to ‘coalesce’ into a single line!

Therefore I plotted the left hand side for all 25 data points against Q* and found the points show some ‘aggregation’ into a sort of band but not a line as the next Diagram shows. 

Diagram-6   ‘Ps,loss/Fm/(S/1000)^2’ versus reduced Inlet Volume Flow rate ‘Q* for 3 speeds.

The points nevertheless show a definite trend: the higher the reduced flow rate the lower the value of the resistance factor ‘K’.  When performing a regression on this scattered band only low r^2 values are obtained see Diagram-6. Next, then tried plotting the ‘K’ values versus the inlet volumetric flow ‘Q1’ and following this plot I made yet another plot against the mass flow rate. Both these plots (not shown here) displayed three distinctly separate lines for each of the speeds, with no aggregation, no banding, no coalescing of points into a single line, no unification. Now what to do?

So next remembering the possibility of ‘K’ not being a true constant! In addition  furthermore remembering that even for a simple geometric shape like a straight circular pipe the overall resistance factor ‘K’ is not constant and still shows some dependency on mass flow rate. Therefore, with the “complex form and shape” of the gas flow channel (an understatement) present in our compressor we should check how ‘K’ in equation eq.8-6 behaves!  So let us see if indeed ‘K’ varies with ‘Q*’ and if so how. In the next Diagram  I am plotting ‘K’ versus Q*.  With ‘K’ based on eq.8-6  as:

K =  H*loss /(Q*)^2 = Ps,loss / Fm / (S/1000)^2 / (Q*)^2  * 2E-6  * Ac^2   ….(eq.8-7)

Ignoring for the moment the factors 1E-6 * 2 * Ac^2 as truly constant then calculating the values of ‘K’ for all 25 data points (three speeds) and plotting these against ‘Q*’.  I found these points form a much narrower a band.  Then next by trial and error I found that all data points could be forming a single line if plotted against the following expression: “ 1/ (Q*) * eps-h^0.44  “ as the following graph shows:

Diagram-7  Fingerprinting the Flow Resistance Kfp for compressor “vscCR-01”.

This Diagram shows that the overall flow resistance factor ‘K’ characterizing compressor ‘vscCR-01’ is inversely related to the reduced flow rate Q*. In other words the higher the flow-rate through the compressor the lower the overall resistance factor becomes. And as we have seen before, this is not unlike the relationship in hydraulic systems like the one quoted except here the inverse relationship is much more pronounced. As shown in the Diagram the resistance factor values plotted are very well described by the following quadratic equation:

overall resistance factor K  =  A*x^2 + B*x +C  ……………………………… (eq.8-8)

in which x = 1/(Q*) * eps-h^0.44  and A = 2.2731  ;  B = -8.2188  ; C = 9.4235

The bold symbol K effectively is a re-definition of ‘K’ of eq.8-7 to include the factor Ac being the inverse of the cross sectional area averaged over the flow path and the conversion factors related to the units employed in this equation: kilo Watts, mass-flow in kg/sec and speed in rev/min instead of Watt, kg/hr, rev/sec or radians/sec.

This quadratic relationship of K with Q* is the essential, overall resistance “fingerprint” function describing how  the overall resistance posed to the gas flowing through the internals of the compressor during the operation of ‘vscCR01’ varies with the reduced inlet volume flow rate. I will refer to this relation of K (Q*) with the symbol “K*fp ”  :

K*fp  =  A * (eps-h^0.44 / Q* )^2 + B * (eps-h^0.44 / Q*) + C  …… . eq.8-9

With the constants A, B and C as given before (eq.8-8). The reduced loss ‘H*loss’ of eq.8-6 can be compactly written in reduced variables as:

H*loss =  (K*fp) * (Q*)^2 ………………………………………..…..…(eq.8-10)

With the help of equation eq.8-9 the power loss ‘Ps,loss’ then is calculated as:

Ps,loss = (K*fp) * (Q*)^2 * Fm * (S/1000)^2    …………………………..….(eq.8-11)

(‘Ps,loss’ is in kW  if ‘Fm’ is expressed in kg/sec and ‘S’ in rev/min).

With eq. 8-11 and the resistance fingerprint eq. 8-9 we should be able to predict the shaft power losses, i.e. that part of the shaft power not converted into a gas pressure rise but instead converted into a temperature rise !

‘8.5  Predicting the PowerLoss  ‘Ps,loss’  .

Taking the combination of equations 8-9 and 8-11 and calculating the values for Ps,loss as function of Q* the following Diagram shows these predicted values that have been co-plotted with the power loss values directly calculated from the Manufacturer’s quoted shaft power minus the Gas Power values. (click on chart to enlarge):

Diagram-8  Predicted Power Loss compared with Actuals for Compressor “vscCR-01”.

To be precise: the overall average percentage error between predicted and actual loss data were calculated to be equal to 1.4 % ! Worth noting are the alternate ways in which eq.8-11 can be written:

Ps,loss / Fm  = (K*fp) * (Q* )^2  * (S/1000)^2 ………………………………(eq.8-11a)

In this equation the term ‘Ps,loss/Fm’ can be interpreted as the enthalpy difference ‘DeltaH’ associated with the energy being converted into heat as a result of loss processes during compressor operation!

DeltaH,loss / (S/1000)^2 =  K * (Q* )^2   ……………………………….……(eq.8-11b)

Note in eq.8-11b  the analogy with the reduced adiabatic head  ‘H*’,

being H* = Had /(S/1000)^2 , and note also that  eq.8-11 can be written as:

Ps,loss  =  (K*fp) * (Q1)^3 * eps-h^2 * Rho1 * 1E-6  ….……………………(eq.8-11c)

Here we see the dependence on the third power of the inlet volumetric flow rate!

  •  9)  Predicting the Shaft Power ‘Ps’ in the simulation of “vscCR-01”

To simulate the total required shaft power ‘Ps’ we now can use the predictive eq.8-11 to calculate the ‘Ps,loss’ values and add these to the adiabatic gas power ‘Gad’ to obtain  the required shaft power ‘Ps’. The resulting values when compared with the Manufacturer’s quoted shaft power numbers show an average percentage error of 0.41 %.  Comparing this percentage error with the error obtained for the shaft power predictions by means of the adiabatic efficiency correlation of  eq.7-1 a clear improvement is achieved and not only that, we have found a description that provides some more insight into the overall loss process in addition!  Thus:

Ps = Gad + Ps,loss     and with eq.8-11  we get

Ps = Had * Fm + (K*fp) * (Q*)^2 * Fm * (S/1000)^2

or alternatively written in reduced variables

Ps = (H* + H*loss) * Fm * (S/1000)^2

The simulated shaft power for compressor ‘vscCR-01’ can now be co-plotted together with the actual Manufacturer’s quoted shaft power numbers as follows:

Diagram-9  Simulated and Actual Shaft Power for Compressor “vscCR-01” compared.

Note the surge- and choke points and lines drawn in this diagram as discussed in section 3 and 4.

Even though we do not need the Adiabatic Efficiency Factor anymore to be able to simulate the required shaft power ‘Ps’ it is interesting to see what the adiabatic efficiency factors are when we calculate these with the help of the newly developed loss (sub)-model equations as follows:

Eta-ad =   Gad / ( Gad + Ps,loss)

The following Diagram shows the adiabatic efficiency factors calculated entirely from the Simulation Model is and in the following Diagram plotted side by side with efficiency factors calculated from the manufacturer’s quoted total shaft power and the model’s adiabatic Gas Power : 

Diagram-10  Simulated and Actual Adiabatic Efficiencies compared.

    • 10)  Upgrading the Compressor Simulation Excel Spreadsheet

The entire simulation can be carried out on a single worksheet of an Excel spreadsheet. An upgraded spreadsheet is presented here. The spreadsheet has been organized in three sections on the same worksheet as follows.

Part 1: Input data : compressor Performance data ; Gas Quality data.                               Part 2 (A): Analyzing the Manufacturers data: calculation of Q* and H*.                         Part 2 (B) -1: ‘Fingerprinting’ the Performance Curves : H*fp.                                          Part 2 (B) -2:  Determination of the Surge – and Choke Points and Lines.                        Part 3: Simulation of Compressor vscCR-01 including inter- and extrapolated speeds (7800 and 8800 rpm); The calculation of Discharge Pressure; Pressure Ratio;                        Adiabatic Head; Gas Power; Power-Loss ; Required (total) Shaft Power and more.

Worksheet Part 2(A)
Calculation of reduced variables H* and Q*

Diagram-11  Analyzing the Manufacturer’s data: calculation of H* and Q*

Fingerprinting the H -Q curves with reduced variables H* and Q*

 

Diagram-12  Fingerprinting the H – Q curves : determine H*fp ; plus reconstructing the surge points and choke points and lines.

 

Simulation compressor for 3 speeds plus inter and extrapolated ones

Diagram-13  Copy of Worksheet Image of Simulation of Compressor “vscCR-01” performance curves for five speeds including interpolated and extrapolated speeds.

Note that this part of the spreadsheet shows the shaft power calculation with the original correlation of Eta-ad (shown at the top of worksheet image). The power loss calculations as explained in this document in section 8  are performed on a separate part of the worksheet not shown here.

The Simulated discharge pressures shown in Diagram 13 have been plotted in the next Diagram-14. 

Diagram-14  Simulated and Manufacturer’s Discharge Pressures for Centrifugal Compressor “vscCR-01”. Note the Surge line as defined in Section 3 and the Choke Line as in Section 4.

Comparing Simulated and Actual Compressor Shaft Power Power for 5 speeds including inter- and extrapolated onesDiagram 15  Simulated and Actual Shaft Power For Compressor “vscCR-01” compared for 5 speeds including extrapolated and interpolated ones.

The spreadsheet Simulation Model of variable speed compressor “vscCR-01” and its calculation intermediary and final calculations results shown in Diagram-13 allows many other graphs and different types of Performance Maps to be plotted easily, Diagram 14 and 15 are two of the examples.

End Post ————– June 2020

 

 

 

 

 

 

 

 

 

 

 

 

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