Author Topic: chemical potential in input file  (Read 155 times)

aemelianova

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chemical potential in input file
« on: October 01, 2018, 04:22:34 PM »
Hello!

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

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Re: chemical potential in input file
« Reply #1 on: October 01, 2018, 06:30:01 PM »
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.

aemelianova

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Re: chemical potential in input file
« Reply #2 on: October 01, 2018, 07:06:52 PM »
Prof. Dubbeldam,

Thank you very much for the answer.