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  Home > JCE Print > Journal of Chemical Education > Issues > 2004  > September  >
In the Classroom
Teaching Ionic Solvation Structure with a Monte Carlo Liquid Simulation Program
Agostinho Serrano, Flávia M. T. Santos, and Ileana M. Greca
Laboratório de Tecnologias para o Ensino de Ciências e Matemática (LTEC IM), Universidade Luterana do Brasil, Bairro São Luiz, Canoas, RS 92420-208, Brazil
Cover
September 2004
Vol. 81 No. 9
p. 1322
Abstract
It is shown how basic aspects of ionic solvation structure, a fundamental topic for understanding different concepts and levels of representations of chemical structure and transformation, can be taught with the help of a Monte Carlo simulation package for molecular liquids. By performing a pair distribution function analysis of the solvation of Na+, Cl–, and Ar in water, it is shown that it is feasible to explain the differences in solvation for these differently charged solutes. Visual representations of the solvated ions can also be employed to help the teaching activity. This may serve as an introduction to the study of solvation structure in chemistry undergraduate courses. The advantages of using tested, up-to-date scientific simulation programs as the fundamental bricks in the construction of virtual laboratories is also discussed.
More Information
*  Citation
 Serrano, Agostinho; Santos, Flávia M.T.; Greca, Ileana M. J. Chem. Educ. 2004 81 1322.
*  Keywords
*  History
 Created:
Last Updated:		 July 28, 2004
August 13, 2004
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