How to simulate the adsorption isothermal of a solution by molecuar dyanmics?

18 October 2021 1 9K Report

I am trying to simulate the adsorption isothermal of Nacl in a porous materials via molceular simulation. How can I do it by GCMC method? I apply GCMC to get adsorption isothermal of gas in materials successfully.

Cristian Cardenas

Hi, I recommend you to have a look at the following work: DOI: 10.1021/jp7097153, the system is water in silicalite at 300 K, (GCMC) simulation method

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