Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid
Autor(a) principal: | |
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Data de Publicação: | 2009 |
Outros Autores: | , , |
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=S0103-97332009000300014 |
Resumo: | A strong temperature dependence of proton mean kinetic energy was observed for liquid water around the density maximum and for moderately supercooled water. Line shape analysis of proton momentum distribution, determined from deep inelastic neutron scattering measurements, shows that there are two proton kinetic energy maxima, one at the same temperature of the macroscopic density maximum at 277 K, and another one in the supercooled phase located around 270 K. The maximum at 277 K is a microscopic quantum counterpart of the macroscopic density maximum, where energetic balance giving rise to the local water structure is manifest in the temperature dependence of kinetic energy. The maximum in the supercooled phase, with higher kinetic energy with respect to stable phases, is associated to changes in the proton potential as the structure evolves with a large number of H-bond units providing both stronger effective proton localization, as well as proton quantum delocalization. |
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Brazilian Journal of Physics |
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Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquidmomentum distributionhydrogen bondsupercooled waterdensity maximumA strong temperature dependence of proton mean kinetic energy was observed for liquid water around the density maximum and for moderately supercooled water. Line shape analysis of proton momentum distribution, determined from deep inelastic neutron scattering measurements, shows that there are two proton kinetic energy maxima, one at the same temperature of the macroscopic density maximum at 277 K, and another one in the supercooled phase located around 270 K. The maximum at 277 K is a microscopic quantum counterpart of the macroscopic density maximum, where energetic balance giving rise to the local water structure is manifest in the temperature dependence of kinetic energy. The maximum in the supercooled phase, with higher kinetic energy with respect to stable phases, is associated to changes in the proton potential as the structure evolves with a large number of H-bond units providing both stronger effective proton localization, as well as proton quantum delocalization.Sociedade Brasileira de Física2009-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000300014Brazilian Journal of Physics v.39 n.2 2009reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332009000300014info:eu-repo/semantics/openAccessPietropaolo,AntoninoSenesi,RobertoAndreani,CarlaMayers,Jerryeng2009-07-17T00:00:00Zoai:scielo:S0103-97332009000300014Revistahttp://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:2009-07-17T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false |
dc.title.none.fl_str_mv |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
title |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
spellingShingle |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid Pietropaolo,Antonino momentum distribution hydrogen bond supercooled water density maximum |
title_short |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
title_full |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
title_fullStr |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
title_full_unstemmed |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
title_sort |
Quantum effects in water: proton kinetic energy maxima in stable and supercooled liquid |
author |
Pietropaolo,Antonino |
author_facet |
Pietropaolo,Antonino Senesi,Roberto Andreani,Carla Mayers,Jerry |
author_role |
author |
author2 |
Senesi,Roberto Andreani,Carla Mayers,Jerry |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Pietropaolo,Antonino Senesi,Roberto Andreani,Carla Mayers,Jerry |
dc.subject.por.fl_str_mv |
momentum distribution hydrogen bond supercooled water density maximum |
topic |
momentum distribution hydrogen bond supercooled water density maximum |
description |
A strong temperature dependence of proton mean kinetic energy was observed for liquid water around the density maximum and for moderately supercooled water. Line shape analysis of proton momentum distribution, determined from deep inelastic neutron scattering measurements, shows that there are two proton kinetic energy maxima, one at the same temperature of the macroscopic density maximum at 277 K, and another one in the supercooled phase located around 270 K. The maximum at 277 K is a microscopic quantum counterpart of the macroscopic density maximum, where energetic balance giving rise to the local water structure is manifest in the temperature dependence of kinetic energy. The maximum in the supercooled phase, with higher kinetic energy with respect to stable phases, is associated to changes in the proton potential as the structure evolves with a large number of H-bond units providing both stronger effective proton localization, as well as proton quantum delocalization. |
publishDate |
2009 |
dc.date.none.fl_str_mv |
2009-06-01 |
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=S0103-97332009000300014 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000300014 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0103-97332009000300014 |
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.39 n.2 2009 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 |
_version_ |
1754734864849960960 |