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...
| Main Authors: | , |
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| Format: | Journal Article |
| Published: |
Academic Press
2013
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| Online Access: | http://hdl.handle.net/20.500.11937/51332 |