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chemical potential in input file

Started by ae213, October 01, 2018, 05:22:34 PM

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I have a few questions:
- is there any way to set up chemical potential in an input file instead of pressure?
- can I somehow set up some other EOS instead of Peng-Robinson?

Thank you.

David Dubbeldam

No, but you can convert your 'chemical potential' to 'fugacity'.
Then, to use your own equation of state, simply input your computed 'fugacity coefficient'.
For example:
ExternalPressure 1e5
FugacityCoefficient 1.0
means the pressure is fugacity (because the fugacity coefficient is 1.0 and then pressure is equal to fugacity) and at 1 bar.
With your equation of state you can compute the fugacity coefficient.


Prof. Dubbeldam,

Thank you very much for the answer.