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Square water as a solvent: Monte Carlo simulations

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dc.creator Guisoni Nara
dc.creator Henriques Vera Bohomoletz
dc.date 2000
dc.date.accessioned 2013-05-30T00:29:07Z
dc.date.available 2013-05-30T00:29:07Z
dc.date.issued 2013-05-30
dc.identifier http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000400018
dc.identifier http://www.doaj.org/doaj?func=openurl&genre=article&issn=01039733&date=2000&volume=30&issue=4&spage=736
dc.identifier.uri http://koha.mediu.edu.my:8181/jspui/handle/123456789/3100
dc.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.
dc.publisher Sociedade Brasileira de Física
dc.source Brazilian Journal of Physics
dc.title Square water as a solvent: Monte Carlo simulations


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