Phase Envelope in Excel 2010 - Chemical Process Simulation

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Phase Envelope In Excel 2010Started by mrbabu,Jan 08 2013 07:45 PM

phase diagram excel prode envelope liquid vapor

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mrbabu

Posted 08 January 2013 - 07:45 PM

I wish to calculate the phase envelope for different mixtures of hydrocarbons + water including different line fractions,

Prode Properties has a Excel page to calculate vapor-liquid-liquid diagrams,

the page allows to print the bubble line, dew line plus a line with specified phase fraction,

with water the procedure correctly shows as bubble line a vapor-liquid-liquid equilibrium line,

plus the line with specified phase fraction and the water dew line (see attached image)

For my application I need to calculate at least three lines with specified phase fractions,

say 0.25 , 0.5, 0.75

how should I proceed ?

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Edited by mrbabu, 09 January 2013 - 12:21 AM.

#2

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144 posts

marchem


differently from other simulators Prode integrates directly with Excel or Matlab,

you have access to all the methods in the library and can modify almost everything by program,

this gives great flexibility and I really appreciate this feature,

in the specific if you look inside the Excel page, VBA code you'll find

this little piece of code

' Original VBA code (prints one line with specified phase fraction)

nrpt = PFLine(stream, 1, pf, pt(0), pp(0), 51)

' nrpt is the effective number of calculated points

ri = 15

For i = 0 To nrpt - 1

Cells(ri + i, ci) = pt(i)

Cells(ri + i, ci + 1) = pp(i)

Next i

here the code calls the method PFLine in the library for calculating the line with specified state and phase fraction

the remaining stuff is the code to write on Excel Cells

you can easily modify this code for including more than one line with specified state and phase fraction

' Modified VBA code (prints three lines with 0.25,0.5,0.75 liq. molar fractions)

pf = 0

For ii = 0 To 2

pf = pf + 0.25

nrpt = PFLine(stream, 1, pf, pt(0), pp(0), 51)

' nrpt is the effective number of calculated points

ri = 15

For i = 0 To nrpt - 1

Cells(ri + i, ci + 2 * ii) = pt(i)

Cells(ri + i, ci + 2 * ii + 1) = pp(i)

Next i

Next ii

I have added the first For (For ii = 0 To 2) to calculate three lines as you wish,

very simple.

Remember to define properly the settings (see the operating manual) ,

these are available under the Tab Models in Properties Editor,

for example you may decide to

-print vapor-liquid; vapor-liquid-liquid; vapor-liquid-solid diagrams
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-print all calculated points or stop when crossing dew or bubble lines (default)

-validate points (default) or not etc.

remember that a phase diagram is complex to calculate and may take a lot of time to complete if you add many lines,

you may test different possibilities as for example print all calculated points to see how the phase diagram appears before to

customize on your needs.

Edited by marchem, 08 January 2013 - 10:03 PM.

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mrbabu

Posted 09 January 2013 - 12:16 AM

thank you !

Does the method PFLine all the work for calculating a line with specified phase fraction ?

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marchem


I utilize method PFLine in that way,

Prode exposes several methods which you can access from Excel or Matlab,

these are discussed in paragraph "Methods for calculating equilibrium lines in phase diagrams" in Operating Manual,

herebelow the description of PFLine

integer nrpt = PFLine(integer stream,double pf, double *P, double *T, int maxpt)

Given a stream, a state, a specified phase fraction and two arrays (0-maxpt elements) the procedure returns nrpt < maxpt

equilibrium points in specified phase fraction line

the above is C/C++ syntax but you can use different languages as VBA, C#, VB-Net, FORTRAN etc.

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mrbabu


thanks,

the VBA code works very well,

I do not understand the option (which you mention) about stopping the specified phase fraction line when near the dew (or

bubble) line, is not that by default?
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marchem

Posted 17 January 2013 - 10:05 AM

mrbabu,

yes, the option of stopping a line with specified phase fraction when crossing dew or bubble line is the default,

there are cases within a vapor-liquid-liquid area where bubble line (a liquid-liquid-vapor line) and a line with specified phase

fraction (say a line with specified liquid fraction = 0.9) are very close,

an example is the mixture

C1 0.7

CO2 0.15

H2S 0.15

with Soave Redlich Kwong or Peng Robinson packages

if you choose to stop the line with specified liquid phase fraction 0.9 then the procedure will not calculated the line,

to see the line you have to deselect that option

#7

PhaseEnvelope_C1_H2S_CO2.bmp 1MB 134 downloads

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Posted 21 February 2013 - 07:27 PM

for that composition

C1 0.7

H2S 0.15

CO2 0.15

the vapor-liquid-liquid phase envelope utility available in Prode Properties calculates a very narrow three phase vapor-liquid-

liquid area (see the image),

is that correct ?

Attached Files

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marchem

Posted 22 February 2013 - 07:15 PM

the vapor-liquid-liquid phase envelope utility of Prode Properties shows for that mixture two vapor-liquid-liquid areas,

see also the three phase line starting at about 155K (1 Bar),

generally when I wish to verify some results I calculate a series of isothermal flash (in this case with multiphase option

activated),

you may follow the same way.
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Posted 18 March 2013 - 02:42 PM

do you know how to redefine the enthalpy and entropy values (base values) in P-H , P-S diagrams created with Prode

Properties ?

Attached Thumbnails

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marchem

Posted 21 March 2013 - 12:25 PM

mdepeche,

in Prode properties you can define your own base values for enthalpy and entropy calcs,

to do that go to Settings dialog (see attached image enthapy_entropy_basevalues.jpg)

in Base values for enthalpy calc you can select

-specified value and temperature

or

-enthalpy of formation in database

if you have selected specified value and temperature

then you can define a initial temperature and initial value for enthalpy

(integration starts from initial temperature with enthalpy = initial value)

in a similar way you can define the base values for entropy calc's

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mrbabu

Posted 12 April 2013 - 12:10 PM

thanks Marchem,

are the P-H, P-S, P-V (or T-H, T-S, T-V) diagrams calculated by Prode Properties based on p,t,compositions of phase

envelope?

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PaoloPemi

Posted 23 April 2013 - 06:02 PM

>are the P-H, P-S, P-V (or T-H, T-S, T-V) diagrams calculated by Prode Properties based on p,t,compositions of phase

envelope?

yes,

the procedure calculates those properties at the different equilibrium points in phase envelope,

with the advantage that one can easily draw

P-H, P-S, P-V etc. diagrams

in addition, since the properties are calculated at the same p,t,w, conditions

you can correlate H,S,V and draw complex diagrams in Excel or Matlab

Edited by PaoloPemi, 23 April 2013 - 06:31 PM.

#13

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mrbabu

Posted 07 May 2013 - 09:19 AM

thanks to your help I am able to create phase diagrams with Prode in both Excel and Matlab,

still I have some doubts about settings,

for example for mixtures with large amounts (mol fract > 0.5) of water,

the procedure calculates the vapor-liquid-liquid phase diagram

but I see (very) different results selecting different EOSs,

which are the optimal settings for these cases ?

#14

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PaoloPemi

Posted 22 May 2013 - 10:08 AM

it's really difficult to answer this question,

although Prode Properties can include many packages including GERG, EOS with complex mixing rules, CPA, SAFT etc.

I am not aware of a model in literature that gives entirely successful results with those mixtures (HC + Water > 50%

mol.fract.),
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I fear that you must accept the limits of each model in this area of application.

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Posted 03 June 2013 - 08:45 AM

when calculating vapor-liquid-liquid phase envelope (see the test case in my previous post)

with Excel in union with 32 or 64 bits versions of PRODE PROPERTIES

I noticed that the number of points calculated for additional (2nd) liquid phase

may be slightly different in 64 and 32 bits version while numerical values are the same,

does this mean that I have to change some settings in the software ?

Edited by mdepeche, 03 June 2013 - 08:46 AM.

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marchem

Posted 04 June 2013 - 06:49 PM

I have noticed a similar behaviour (i.e. some difference in the number of points calculated for 2nd liquid phase in 32 and 64 b

versions),

I guess that since the code has been probably optimized for speed

depending from the resources (CPU, memory) allocated for that process (which may differ in different installations)

some equilibrium points which require many calc's are not included

(i.e. the procedure exits before to complete),

according my experience the 64 bits version shows a significant improvement in speed of execution,

which is useful working with Excel....

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thanks Marchem,

that confirms my observations based on tests in two computers,

since there are different resources available (on each computer) that could be the reason.

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I see a similar behaviour in my computers,
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the same problem may require more or less time to converge depending from resources (CPU speed, RAM installed, other

programs running etc.) available for that task.

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mrbabu

Posted 15 July 2013 - 10:08 PM

I noticed that calculated phase envelope (with mixtures of hydrocarbons + water) may be very different if I set standard or

extended versions of Peng Robinson or Soave,

also I see that PRODE has a default value of 0.5 as BIP for water-hydrocarbons,

is that value good for both standard and extended EOS or should I define different values?

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Posted 19 August 2013 - 02:55 PM

no,

according some tests with Peng Robinson Extended (or Soave) values about 0.1-0.2 are required for Kij with water-light

hydrocarbons,

as said on a different thread the value 0.5 could be ok for standard Peng Robinson (or Soave),

not for extended versions,

however, since PRODE PROPERTIES includes a VLE data regression procedure if you have access to some experimentalVLE data you can calculate these BIPs.

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mrbabu

Posted 23 September 2013 - 02:17 PM

Paolo, considering the limits of Van der Waals mixing rules with Soave and Peng Robinson models for water-hydrocarbons

would you recommend to use constant BIP or temperature dependent BIP ?

#22marchem
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Posted 24 September 2013 - 12:53 PM

my experience with temperature dependent BIPs in PRODE PROPERTIES

is that they allow to fit also VLE points where

the standard Kij-Lij pair doesn't work well,

for example I have been able with Soave and Peng-Robinson to get

very limited errors for water-ammonia and water-ethanol VLE points.

One thing that I would consider carefully before to

set temperature dependent BIPs is that these valuesmust be suitable for the whole range of temperatures

in your application,

you may calculate temperature dependent BIPs from

a relatively large number of points to cover

the range of temperatures in a phase envelope,

or reduce the influence of temperature dependent

parameters

(PRODE PROPERTIES allows up to two temperature dependent

BIPs on each binary pair)

to avoid wrong results.

Edited by marchem, 24 September 2013 - 12:54 PM.

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PaoloPemi

Posted 27 September 2013 - 08:27 AM

Marchem is correct,

temperature dependent BIPs should be utilized

with care for a extended range ot temperatures as in phase envelopes,

an example is water-methane,

with Soave Redlich Kwong (or Peng Robinson)

and the four BIPs (2 temperature dependent)

available in PRODE PROPERTIES

you can fit well experimental VLE data points

such as the dew points available in literature

with the data regression utility available

in PRODE PROPERTIES,

for example you can fit almost exactlyresults from ISO 18453 and other

standards,

however you should verify that

temperature dependent BIPs have

acceptable values in the whole range

of application to avoid wrong results,

that will depend mainly from

the range of temperatures of

VLE points which you provide

as input to the data regression utility.
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Phase Envelope in Excel 2010 - Chemical Process Simulation

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