DOI

We propose a modified Monte-Carlo method for studying the solvation of ions in a mixed solvent. We include two-particle shifts in the algorithm along with oneparticle shifts. Some of the two-particle shifts end with exchange of adjacent molecules. We have carried out calculations for the system Na+-N1·H2O-N2·MeOH for N1=N2=6 and N1=N2=9. We have concluded that there is preferential hydration of the Na+ ion in an equimolar water-methanol mixture.

Язык оригиналаанглийский
Страницы (с-по)213-216
Число страниц4
ЖурналTheoretical and Experimental Chemistry
Том24
Номер выпуска2
DOI
СостояниеОпубликовано - 1 мар 1988

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ID: 43151813