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A study of the additivity of interactions in cation-water systems

โœ Scribed by Michael M. Probst

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
465 KB
Volume
137
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The mono-to tetra-hydrates and hexahydrates of Na+, Mg*' and Ai3+ have been taken as examples to investigate to what extend the interactions in water-metal complexes can be replaced by sums of water-water and water-ion two-body interactions. It is found that the quality of the approximation of pairwise additivity of the interaction energies decreases with increasing charge of the ion and also with the number of water molecules in the hydrates. For cations with a charge of more than two the pair approximation can be expected to significantly influence the results of computer simulations of electrolyte solutions.

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