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 |
|---|---|
| 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