A Compressible Continuum Model Study of the Chloride plus Methyl Chloride Reaction in Supercritical Water
- 1 February 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 101 (6), 1063-1071
- https://doi.org/10.1021/jp9628601
Abstract
No abstract availableKeywords
This publication has 53 references indexed in Scilit:
- Computer Simulation Study of an SN2 Reaction in Supercritical WaterThe Journal of Physical Chemistry, 1995
- The Aqueous Solvation of Water: A Comparison of Continuum Methods with Molecular DynamicsJournal of the American Chemical Society, 1994
- Aqueous electrolytes at high temperatures: Comparison of experiment with simulation and continuum modelsThe Journal of Chemical Thermodynamics, 1994
- Decoupling substituent and solvent effects during hydrolysis of substituted anisoles in supercritical waterIndustrial & Engineering Chemistry Research, 1992
- Solvent effects on reactions in supercritical fluidsIndustrial & Engineering Chemistry Research, 1991
- Simulation of supercritical water and of supercritical aqueous solutionsThe Journal of Chemical Physics, 1991
- Electrostatic contributions to solvation energies: comparison of free energy perturbation and continuum calculationsJournal of the American Chemical Society, 1991
- Pressure tuning of chemical reaction equilibria in supercritical fluidsThe Journal of Physical Chemistry, 1989
- Photodimerization of isophorone in supercritical trifluoromethane and carbon dioxideJournal of the American Chemical Society, 1989
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983