Preferential solvation of Cl in binary equimolecular water-methanol mixtures

Juan Bertran Rusca, Jose Mª Lluch Lopez, Antoni Oliva Cuyas

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)


Two Monte Carlo simulations of Cl- solvation in equimolecular solvent mixtures containing 64 water molecules and 64 methanol molecules, and 128 water molecules, and 128 methanol molecules, respectively, have been carried out making use of the Metropolis algorithm. Energy and structural analysis of the generated configurations after equilibration clearly show that Cl- is preferentially solvated by water, in good agreement with the experimental results.
Original languageEnglish
Pages (from-to)3537-3540
JournalJournal of the Chemical Society - Faraday Transactions
Issue number24
Publication statusPublished - 1 Dec 1992


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