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Thermodynamic Properties Calculation Without Using Simulation Software

thermodynamic property calcn

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#1 Bitan729


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Posted 14 September 2019 - 12:19 AM

Hello everyone,


As you all know in popular Process simulation software like Hysys, unisim, promax etc  by only providing composition, temperature, pressure one can get a lot of information of a stream like vapor fraction,molar enthalpy,entropy,density,heat capacity,Cp/Cv, Z factor,Watson K, heat of vaporization,kinematic viscosity etc accurately with the help of property package. 



I want to know if there are any practical references,books are available through which we can calculate those property manually ( like in excel) accurately? I know there are lot of thermodynamic books are available but they good only for academic. I would like to have practical references from which I can calculate or understand how to calculate above mentioned properties accurately for real life conditions. My area of work are hydrocarbon /petrochemical plants, to some extent air separation plant. 


Presently I am trying to calculate above mentioned properties with Ping Robinson,SRK equation of state for hydrocarbon streams, for my own interest. 


Suggestion for any book, documents or other references(can be premium documents)  would be highly appreciable. Please note that I don't have much access to simulation software, because I am from plant operation side,not from design side.



If the similar question was already asked in the forum and I am repeating the same,then for that I am truly sorry. 



Note: I may have posted the same topic twice on the forum accidentally and don,t know how to delete the duplicate one. please accept my sincere apology for the inconveniences you may have felt.  Please consider this as my original post.



With Regards,



:)  :)  :)

Edited by Bitan729, 14 September 2019 - 12:41 AM.

#2 breizh


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Posted 14 September 2019 - 01:12 AM

Hi ,

May I suggest :


Applications in Chemical engineering and the Petroleum industry by Jean Vidal (IFP) 













note : Consider the search engine in this forum .


good luck ,Others should help 


Edited by breizh, 14 September 2019 - 01:42 AM.

#3 Bitan729


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Posted 14 September 2019 - 01:57 AM

Thanks breiZH ... You always help people ..

Edited by Bitan729, 14 September 2019 - 02:02 AM.

#4 PingPong


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Posted 14 September 2019 - 04:05 AM

Consider also: The Properties of Gases and Liquids by Poling, Prausnitz & O'Connell

#5 twell


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Posted 14 September 2019 - 10:03 AM

The Properties of Gases and Liquids,is a very good reference including many calculation examples,

but  on the net you may find many pages and documents starting from old API TDB...

Peng Robinson and Soave Redlick Kwong are good for solving problems such as phase equilibria of natural gas (or, in general, hydrocarbon) mixtures, also you can obtain accurate values for properties of vapor phase,

the main limit (for PR and SRK) is probably the (relatively) limited accuracy of volumetric (and derived) properties of liquid phase,

it means that if you compare, for example, the heat capacities of liquid mixtures as calculated with standard Peng Robison or Soave Redlick Kwong  with those calculated with a reference model as GERG 2008 you may see large differences (as 20-30 %) which are not acceptable in many cases,

to mitigate these limits several variants have been introduced, with different alpha functions, volume traslation and additional parameters, new, complex, mixing rules have been introduced to extend the range of application to polar / associating mixtures etc. as result recent  versions of Peng Robinson (or Soave) are quite complex and difficult to code, 

anyway, if you work with Excel, there are several xls pages including PR(1978) and SRK(1972) at cheresources,

or ,if you wish to access complex models, there are add-ins as Prode https://www.prode.com, or Refprop https://trc.nist.gov/refprop

Edited by twell, 14 September 2019 - 10:06 AM.

#6 PhilippM


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Posted 14 September 2019 - 10:37 AM

If I am not mistaken however, you need actual experimental data in order to determine these thermodynamic properties. And I don't think these data are available for free.

#7 twell


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Posted 14 September 2019 - 12:08 PM

if you mean to recalculate alpha function parameters or additional factors as volume translation etc. in Peng Robinon or Soave, yes, you are correct, however several authors have published some parameters (for example some variants of alpha function),

I mentioned the Excel add-ins as they allow to compare the accuracy of standard versions vs. multiparameter models as the mentioned GERG (see above the note about errors when calculating heat capacity of liquid mixtures), see also The Properties of Gases and Liquids for aditional information...

Edited by twell, 14 September 2019 - 12:10 PM.

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