MC and adsorption capacity

[YadiJiang]

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]

Search for books and literature on grand-canonical ensembles. There are also many books, reviews, articles on the topic of simulation of adsorption.

[YadiJiang]

thank you, sir