Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

We present a single-particle Lennard-Jones (L-J) model for CO2 and N2. Simplified L-J models for other small polyatomic molecules can be obtained following the methodology described herein. The phase-coexistence diagrams of single-component systems computed using the proposed single-particle models...

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Bibliographic Details
Main Authors: Li, J., Calo, Victor
Format: Journal Article
Published: Academic Press 2013
Online Access:http://hdl.handle.net/20.500.11937/51332

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