One dimensional model for water and aqueous solutions. Part V. Monte Carlo simulation of dilute solutions of hard rod in waterlike particles.
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.
Lyubartsev
Alexander
A
Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.
Ben-Naim
Arieh
A