Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption

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Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption

We describe algorithms for the recently developed Bin-Monte Carlo (Bin-MC) method (Fan et al., 2012) and kinetic Monte Carlo (kMC) (Ustinov and Do, 2012) to simulate binary liquid mixtures, and compare them with simulations of vapour-liquid equilibria from the canonical and Gibbs MC methods. We have...

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Bibliographic Details
Main Authors:	Nguyen, V., Fan, Chunyan, Razak, M., Do, D., Nicholson, D., Ustinov, E.
Format:	Journal Article
Published:	Pergamon 2013
Online Access:	http://hdl.handle.net/20.500.11937/55632

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