Author Topic: Question on how to describe ions' chemical potential  (Read 30 times)

Haolong

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Question on how to describe ions' chemical potential
« on: January 09, 2020, 05:34:13 AM »
Hi, Professor David:

How can I describe ions' chemical potential instead of fugacity, which is mainly used to describe the property of gas, in the input file? :)

Kind regards,
Haolong

David Dubbeldam

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Re: Question on how to describe ions' chemical potential
« Reply #1 on: January 16, 2020, 06:20:55 PM »
Chemical potentials and fugacities are related by a trivial conversion and represent the same concept.
Fugacity is easier to use because it is always a positive number, while the chemical potential goes to minus infinity at infinite dilution.
Fugacity also has a more direct relation to pressure.