Molecular dynamics simulations of microwave heating of water

被引：144

作者：

English, NJ ^{[1
]}

MacElroy, JMD ^{[1
]}

机构：

[1] Natl Univ Ireland Univ Coll Dublin, Conway Inst Biomol & Biomed Res, Ctr Synth & Chem Biol, Dept Chem Engn, Dublin 4, Ireland

来源：

JOURNAL OF CHEMICAL PHYSICS | 2003年 / 118卷 / 04期

关键词：

D O I：

10.1063/1.1538595

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Nonequilibrium molecular dynamics simulations of water in an intense external microwave field have been performed using a rigid/polarizable and a flexible/nonpolarizable potential model, from ambient conditions to supercriticality. The heating profiles were compared to that predicted from a macroscopic energy balance, and the polarizable model was found to be superior in this regard. (C) 2003 American Institute of Physics.

引用

页码：1589 / 1592

页数：4

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