Title of article
Computer modelling of liquids salts RbBr, CuCl, CuBr, CuI and AgBr
Author/Authors
D. K. Belashchenko and A. S. Ginzburg ، نويسنده , , O. I. Ostrovski، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
16
From page
523
To page
538
Abstract
Computer models of liquid ionic systems RbBr, CuCl, CuBr, CuI and AgBr containing 498 ions in the basic cube were constructed using experimental diffraction data. Modelling was conducted using algorithm BELION with varying ionic charges. Calculated atomisation energies were close to experimental data when charges were ±1.00 for RbBr, ±1.15 for AgBr, ±1.20 for CuCl, ±1.48 for CuBr, and ±1.37 for CuI. Partial pair correlation functions of models agree well with experimental data.
Journal title
C A L P H A D (Computer Coupling of Phase Diagrams and Thermochemistry)
Serial Year
2002
Journal title
C A L P H A D (Computer Coupling of Phase Diagrams and Thermochemistry)
Record number
515175
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