| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 201375 | Fluid Phase Equilibria | 2016 | 5 Pages |
Abstract
Molecular dynamics and Monte Carlo simulations are used to determine the stable states of the kaolinite-methanol intercalation system. Several evaluation scenarios are presented to describe the stability of the system using single μSolventNClaypT ensemble simulations and a series of NpT ensemble simulations coupled with thermodynamic integration.
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Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Gábor Rutkai, Zoltán Ható, Tamás Kristóf,