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...

Full description

Saved in:
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
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3
cites cdi_FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3
container_end_page 1592
container_issue 4
container_start_page 1589
container_title The Journal of chemical physics
container_volume 118
creator English, Niall J.
MacElroy, J. M. D.
description 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.
doi_str_mv 10.1063/1.1538595
format article
fullrecord <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1063_1_1538595</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1063_1_1538595</sourcerecordid><originalsourceid>FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3</originalsourceid><addsrcrecordid>eNotz0tLw0AUBeBBFIzVhf8gWxep984kkxlwI0WrUOmmroebeWgkD5mJlv57U-zqwLc4nMPYLcISQYp7XGIlVKWrM5YhKF3UUsM5ywA4FlqCvGRXKX0BANa8zNjD29h5-9NRzN1hoL61KU9tP8PUjkPKx5DPFsc9_fr80886fBxxT5OP1-wiUJf8zSkX7P35abd6KTbb9evqcVNYrsVUBO-Uq6XgQmrnEMBhwy1VFWhtMaiSBPcSypIk8FA3riHrhFOybEhB7cSC3f33zkNSij6Y79j2FA8GwRxvGzSn2-IPF25KSA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Molecular dynamics simulations of microwave heating of water</title><source>American Institute of Physics (AIP) Publications</source><source>American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list)</source><creator>English, Niall J. ; MacElroy, J. M. D.</creator><creatorcontrib>English, Niall J. ; MacElroy, J. M. D.</creatorcontrib><description>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.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.1538595</identifier><language>eng</language><ispartof>The Journal of chemical physics, 2003-01, Vol.118 (4), p.1589-1592</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3</citedby><cites>FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,782,784,27924,27925</link.rule.ids></links><search><creatorcontrib>English, Niall J.</creatorcontrib><creatorcontrib>MacElroy, J. M. D.</creatorcontrib><title>Molecular dynamics simulations of microwave heating of water</title><title>The Journal of chemical physics</title><description>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.</description><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2003</creationdate><recordtype>article</recordtype><recordid>eNotz0tLw0AUBeBBFIzVhf8gWxep984kkxlwI0WrUOmmroebeWgkD5mJlv57U-zqwLc4nMPYLcISQYp7XGIlVKWrM5YhKF3UUsM5ywA4FlqCvGRXKX0BANa8zNjD29h5-9NRzN1hoL61KU9tP8PUjkPKx5DPFsc9_fr80886fBxxT5OP1-wiUJf8zSkX7P35abd6KTbb9evqcVNYrsVUBO-Uq6XgQmrnEMBhwy1VFWhtMaiSBPcSypIk8FA3riHrhFOybEhB7cSC3f33zkNSij6Y79j2FA8GwRxvGzSn2-IPF25KSA</recordid><startdate>20030122</startdate><enddate>20030122</enddate><creator>English, Niall J.</creator><creator>MacElroy, J. M. D.</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20030122</creationdate><title>Molecular dynamics simulations of microwave heating of water</title><author>English, Niall J. ; MacElroy, J. M. D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2003</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>English, Niall J.</creatorcontrib><creatorcontrib>MacElroy, J. M. D.</creatorcontrib><collection>CrossRef</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>English, Niall J.</au><au>MacElroy, J. M. D.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular dynamics simulations of microwave heating of water</atitle><jtitle>The Journal of chemical physics</jtitle><date>2003-01-22</date><risdate>2003</risdate><volume>118</volume><issue>4</issue><spage>1589</spage><epage>1592</epage><pages>1589-1592</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>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.</abstract><doi>10.1063/1.1538595</doi><tpages>4</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0021-9606
ispartof The Journal of chemical physics, 2003-01, Vol.118 (4), p.1589-1592
issn 0021-9606
1089-7690
language eng
recordid cdi_crossref_primary_10_1063_1_1538595
source American Institute of Physics (AIP) Publications; American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list)
title Molecular dynamics simulations of microwave heating of water
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-08T00%3A48%3A06IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-crossref&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Molecular%20dynamics%20simulations%20of%20microwave%20heating%20of%20water&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=English,%20Niall%20J.&rft.date=2003-01-22&rft.volume=118&rft.issue=4&rft.spage=1589&rft.epage=1592&rft.pages=1589-1592&rft.issn=0021-9606&rft.eissn=1089-7690&rft_id=info:doi/10.1063/1.1538595&rft_dat=%3Ccrossref%3E10_1063_1_1538595%3C/crossref%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c293t-fed8d7632369dd100d1b2ca55099c1f84a32e6044a602f7bdbacd3d864ba807d3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true