Abstract
Computer simulations and two extended primitive models of water were used to investigate the probability of the formation of bonds between a hypothetical solute and water molecules in dependence on the number of activated solute's interaction sites. By studying these two models, a broad range of representations of water molecules on a simple level. The findings fully confirm the plausibility of the assumption of independence of the interaction sites and have thus important implications regarding the development of an analytical theory of water because they may considerably simplify various considerations.
Original language | English |
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Pages (from-to) | 6446-6454 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 14 |
DOIs | |
State | Published - 8 Apr 2003 |