An improved compressible electrostatic continuum model for solvation in supercritical water
作者:
Susan C. Tucker,
James T. Vivian,
期刊:
AIP Conference Proceedings
(AIP Available online 1999)
卷期:
Volume 492,
issue 1
页码: 359-381
ISSN:0094-243X
年代: 1999
DOI:10.1063/1.1301537
出版商: AIP
数据来源: AIP
摘要:
Our previously published, grid-based compressible electrostatic continuum model [1] includes explicit treatment of electrostriction, a nonlinear dielectric effect. An improved version of this method, which more accurately treats the solvent-solute cavity dielectric boundary, is presented and tested against the model of Wood, Quint and Grolier [2] for the case of a spherical ion in supercritical water atT=653&hthinsp;K.This application illustrates the importance of electrostriction—and thus also of models which explicitly include this effect—for solvation in supercritical water. ©2000 American Institute of Physics.
点击下载:
PDF
(1219KB)
返 回