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  Home > JCE Print > Journal of Chemical Education > Issues > 2000  > August  >
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A Simplified Mathematical Model for Calculating the Lattice Energies of Binary Group I and Group II Ionic Compounds: Using Solver to Estimate the Empirical Constants
Alan Carter
Department of Chemistry, Wellington College, Crowthorne, Berkshire RG45 7QP, UK

Cover
August 2000
Vol. 77 No. 8
p. 1081

Abstract
A simplified mathematical model for calculating the Lattice energies of binary Group I and II ionic compounds; using Solver to estimate the empirical constants.
Supplement
The paper develops and tests equation (10) for the lattice energy of ionic compounds.The JCE Online version gives the whole spreadsheet for 54 compounds. It contains the calculated values from eq10 and compares them with values from the Kapustinskii equation. Included on the same spreadsheet is the test of the more complex equation (13) with four constants. This, not surprisingly, gives better estimates of the Lattice Energies.

A second spreadsheet illustrates another modeling exercise using eqs 11 and 14 to give physically reasonable estimates of an "average" thermochemical radius for the polarisable hydride in nine Group I and II salt like hydrides.

*  Contents
*  Download
supp1081.pdf

supp1081.sit

supp1081.zip

More Information
*  Citation
Carter, Alan. J. Chem. Educ. 2000 77 1081.
*  Keywords
Inorganic Chemistry; Physical Chemistry; Bonding Theory; Computational Chemistry; Computer Assisted Instruction
*  History
Created:
Last Updated:
July 5, 2000
August 31, 2005
  Home > JCE Print > Journal of Chemical Education > Issues > 2000  > August  > Page 1081


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