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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...
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I am trying to calculate sum of Exp[U/(Kb T)]，U is potential energy 200 Kcal/mol，Kbis Boltzmann constant 1.4*10^-23,T temperature 298K。However, Exp[U/(Kb T)] becomes infinite for any energy. How...
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