Molecular dynamics simulations of microwave heating of water

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 macrosco...

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Bibliographic Details
Published in:The Journal of chemical physics 2003-01, Vol.118 (4), p.1589-1592
Main Authors: English, Niall J., MacElroy, J. M. D.
Format: Article
Language:English
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1538595