Stability of the kaolinite-guest molecule intercalation system: A molecular simulation study
2016
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 μ Solvent N Clay pT ensemble simulations and a series of NpT ensemble simulations coupled with thermodynamic integration.
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
42
References
4
Citations
NaN
KQI