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One dimensional model for water and aqueous solutions. Part V. Monte Carlo simulation of dilute solutions of hard rod in waterlike particles
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry. (computational chemistry)
The Hebrew University of Jerusalem.
2009 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 131, 204507- p.Article in journal (Refereed) Published
Abstract [en]

Wehave carried out Monte Carlo simulation on the primitive onedimensional model for water described earlier [A. Ben-Naim, J. Chem.Phys. 128, 024506 (2008)]. We show that by taking intoaccount second nearest neighbor interactions, one can obtain the characteristicanomalous solvation thermodynamic quantities of inert solutes in water. Thismodel clearly demonstrates the molecular origin of the large negativeentropy of solvation of an inert solute in water.

Place, publisher, year, edition, pages
2009. Vol. 131, 204507- p.
National Category
Physical Chemistry
Research subject
Physical Chemistry
URN: urn:nbn:se:su:diva-31951DOI: 10.1063/1.3265948ISI: 000272894500026OAI: diva2:279035
Advanced computer simulation methods for theoretical description of molecular systems
Available from: 2009-12-01 Created: 2009-12-01 Last updated: 2011-09-19Bibliographically approved

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Lyubartsev, Alexander
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