Computer modelling of liquids salts RbBr, CuCl, CuBr, CuI and AgBr
Source abstract
Abstract
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.
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Research context
OpenAlex topics: Ionic liquids properties and applications · Chemical and Physical Properties in Aqueous Solutions · Crystallization and Solubility Studies
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References (25)
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