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ERIC Number: EJ863195
Record Type: Journal
Publication Date: 2009-Dec
Pages: 5
Abstractor: As Provided
Reference Count: 11
ISSN: ISSN-0021-9584
Interaction of Simple Ions with Water: Theoretical Models for the Study of Ion Hydration
Gancheff, Jorge S.; Kremer, Carlos; Ventura, Oscar N.
Journal of Chemical Education, v86 n12 p1403-1407 Dec 2009
A computational experiment aimed to create and systematically analyze models of simple cation hydrates is presented. The changes in the structure (bond distances and angles) and the electronic density distribution of the solvent and the thermodynamic parameters of the hydration process are calculated and compared with the experimental data. The influence of the ion charge and size on the interaction of simple cations with water molecules is discussed. Both the physical implications of the results and the internal consistency of the theoretical models employed are discussed, offering a good first approach to the theoretical study of interesting systems, such as those that result from the interaction of simple ions with the solvent. (Contains 3 tables, 2 figures, and 3 notes.)
Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A