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CAPE-OPEN • View topic - equilibrium calculations using thermodynamic
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equilibrium calculations using thermodynamic

PostPosted: 17 January 2014, 09:34
by syed
How equilibrium calculations are performed, using thermodynamic data in process simulation softwares. what is the example or applications

Re: equilibrium calculations using thermodynamic

PostPosted: 17 January 2014, 09:42
by jasper
I am not sure what your question is. Each thermodynamic server has its own methods for calculating the thermodynamic phase equilibrium. Is your question about a particular thermodynamic server? Or a particular application? Can you elaborate?

Re: equilibrium calculations using thermodynamic

PostPosted: 17 January 2014, 09:54
by syed
my question is how phase equilibrium calculations are done in simulation softwere by using thermodynamic data... suggest some books or any related material for study..
Regards
Syes Fawad Ali Shah

Re: equilibrium calculations using thermodynamic

PostPosted: 17 January 2014, 10:06
by jasper
There is a lot of literature on how to perform phase equilibria calculations. The work of Michelsen back in the 1980 is popular (Fluid Phase Equilibria, 9 (1982) 1-19, Fluid Phase Equilibria, 9 (1982) 21-40, Computers and Chem. Engng Vol. 18. No. 7. pp. 545-550. 1994, Fluid Phase Equilibria, 23 (1985) 181-192, Fluid Phase Equilibria, 4 (1980) l-10). You will find some references is Properties of Gases and Liquids (Poling, Prausnitz, O'Connol), and in fact in any good book on thermo. Here are some references . But there are literally dozens of articles on flash calculations as well. I suppose what you are looking for depends on the problem description at hand; does it need to be generic or specific to certain phase models, which phase combinations are you considering, how well does it need to perform vs how reliable does it need to be... There is no easy answer.