One dimensional model for water and aqueous solutions. Part V. Monte Carlo simulation of dilute solutions of hard rod in waterlike particles

Alexander Lyubartsev, Arieh Ben-Naim*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We have carried out Monte Carlo simulation on the primitive one dimensional model for water described earlier [A. Ben-Naim, J. Chem. Phys. 128, 024506 (2008)]. We show that by taking into account second nearest neighbor interactions, one can obtain the characteristic anomalous solvation thermodynamic quantities of inert solutes in water. This model clearly demonstrates the molecular origin of the large negative entropy of solvation of an inert solute in water.

Original languageEnglish
Article number204507
JournalJournal of Chemical Physics
Volume131
Issue number20
DOIs
StatePublished - 2009

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