A novel application of kinetic Monte Carlo method in the description of N2 vapour-liquid equilibria and adsorption

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A novel application of kinetic Monte Carlo method in the description of N2 vapour-liquid equilibria and adsorption

We present a novel application of kinetic Monte Carlo (k. MC) to describe vapour-liquid equilibria (VLE), vapour-solid equilibria (VSE) and adsorption of nitrogen on a flat graphite surface and in graphitic slit pores. This method is applied, for the first time, to molecules having Lennard-Jones sit...

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Bibliographic Details
Main Authors:	Fan, Chunyan, Do, D., Nicholson, D., Ustinov, E.
Format:	Journal Article
Published:	Pergamon 2013
Online Access:	http://hdl.handle.net/20.500.11937/55465

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