New Monte Carlo simulation of adsorption of gases on surfaces and in pores: A concept of multibins

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New Monte Carlo simulation of adsorption of gases on surfaces and in pores: A concept of multibins

We introduce a new and effective Monte Carlo scheme to simulate adsorption on surfaces and in pores. The simulation box is divided into bins to account for the nonuniform distribution of particle density, and the new scheme takes into account the state of each bin and allows the maximum displacement...

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Bibliographic Details
Main Authors:	Fan, Chunyan, Do, D., Nicholson, D.
Format:	Journal Article
Published:	American Chemical Society 2011
Online Access:	http://hdl.handle.net/20.500.11937/55156

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