Research output: Contribution to journal › Article › peer-review
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.
Original language | English |
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Pages (from-to) | 213-216 |
Number of pages | 4 |
Journal | Theoretical and Experimental Chemistry |
Volume | 24 |
Issue number | 2 |
DOIs | |
State | Published - 1 Mar 1988 |
ID: 43151813