Square water as a solvent: Monte Carlo simulations

Detalhes bibliográficos
Autor(a) principal: Guisoni,Nara
Data de Publicação: 2000
Outros Autores: Henriques,Vera Bohomoletz
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000400018
Resumo: Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data for the frequency of hydrogen bonds as a function of temperature indicate a slower rate of bond breaking for the hydration shell as compared to bulk water particles.
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spelling Square water as a solvent: Monte Carlo simulationsSquare water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data for the frequency of hydrogen bonds as a function of temperature indicate a slower rate of bond breaking for the hydration shell as compared to bulk water particles.Sociedade Brasileira de Física2000-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000400018Brazilian Journal of Physics v.30 n.4 2000reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332000000400018info:eu-repo/semantics/openAccessGuisoni,NaraHenriques,Vera Bohomoletzeng2002-01-09T00:00:00Zoai:scielo:S0103-97332000000400018Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2002-01-09T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Square water as a solvent: Monte Carlo simulations
title Square water as a solvent: Monte Carlo simulations
spellingShingle Square water as a solvent: Monte Carlo simulations
Guisoni,Nara
title_short Square water as a solvent: Monte Carlo simulations
title_full Square water as a solvent: Monte Carlo simulations
title_fullStr Square water as a solvent: Monte Carlo simulations
title_full_unstemmed Square water as a solvent: Monte Carlo simulations
title_sort Square water as a solvent: Monte Carlo simulations
author Guisoni,Nara
author_facet Guisoni,Nara
Henriques,Vera Bohomoletz
author_role author
author2 Henriques,Vera Bohomoletz
author2_role author
dc.contributor.author.fl_str_mv Guisoni,Nara
Henriques,Vera Bohomoletz
description Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data for the frequency of hydrogen bonds as a function of temperature indicate a slower rate of bond breaking for the hydration shell as compared to bulk water particles.
publishDate 2000
dc.date.none.fl_str_mv 2000-12-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000400018
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000400018
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332000000400018
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.30 n.4 2000
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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