Molecular dynamics simulations of thermodynamic and structural properties of liquid SO2
- 10 October 1985
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 56 (2) , 239-253
- https://doi.org/10.1080/00268978500102291
Abstract
Results of molecular dynamics simulations on liquid SO2 are reported. Four effective pair potentials of different level of sophistication have been tested in order to reproduce the thermodynamic data along the liquid-vapour coexistence curve. The structural properties are investigated and compared with recent experimental data. The self diffusion coefficient is also computed for each potential model.Keywords
This publication has 39 references indexed in Scilit:
- Intermolecular potentials for CH4, CH3F, CHF3, CH3Cl, CH2Cl2, CH3CN, and CO2The Journal of Chemical Physics, 1984
- The HCl–HCl interaction: From quantum mechanical calculations to properties of the liquidThe Journal of Chemical Physics, 1983
- Interaction site models for carbon dioxideMolecular Physics, 1981
- An effective pair potential for liquid carbon disulphideMolecular Physics, 1981
- Cooperative effects in simulated waterNature, 1979
- Structure of liquid carbon disulphide: a molecular dynamics studyMolecular Physics, 1979
- Thermodynamic and structural properties of liquids modelled by ‘2-Lennard-Jones centres’ pair potentialsMolecular Physics, 1977
- The properties of liquid nitrogenMolecular Physics, 1976
- The self-diffusion coefficient of liquid methaneMolecular Physics, 1975
- Simulation of Diatomic Homonuclear LiquidsPhysical Review A, 1973