Author Topic: MC and adsorption capacity  (Read 186 times)

YadiJiang

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MC and adsorption capacity
« on: October 02, 2021, 03:47:37 PM »
Hi Prof. Dubbeldam,

When using Monte Carlo method to carry out a simulation, i can gaint 'average loading absolute' and 'average loading excess' of absorbate. However i don't know the theory of obtaining the adsorption capacity by Monte Carlo method. What is the theory of this process, or what can I learn to understand the theory?

Thank you,
Jiang

David Dubbeldam

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Re: MC and adsorption capacity
« Reply #1 on: October 13, 2021, 08:08:23 PM »
Search for books and literature on grand-canonical ensembles. There are also many books, reviews, articles on the topic of simulation of adsorption.

YadiJiang

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Re: MC and adsorption capacity
« Reply #2 on: October 14, 2021, 09:09:59 AM »
thank you, sir