Quantized Water Clusters Around Apolar Molecules
- 1 October 1993
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 11 (2-4) , 145-161
- https://doi.org/10.1080/08927029308022505
Abstract
In order to understand the mechanism of gas hydrate kinetics and to explore the existance of other new cavities in the hydrate structure, we have used Molecular Dynamics (MD) simulation to study a system comprising two Lennard-Jones particles and 214 water molecules. Equilibrium structure and properties of twelve cases have been investigated. Our findings were as follows:Keywords
This publication has 25 references indexed in Scilit:
- Natural Gas HydratesJournal of Petroleum Technology, 1991
- Nucleation of Crystals From the MeltAdvances in Chemical Physics, 1988
- Theory of the Equilibrium Liquid-Solid TransitionAnnual Review of Physical Chemistry, 1987
- FreezingScience, 1987
- Solvation ThermodynamicsPublished by Springer Nature ,1987
- A new clathrate hydrate structureNature, 1987
- Water RevisitedScience, 1980
- Hydrophobic InteractionsPublished by Springer Nature ,1980
- Improved simulation of liquid water by molecular dynamicsThe Journal of Chemical Physics, 1974
- Hydrogen-bond patterns in liquid waterJournal of the American Chemical Society, 1973