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国家自然科学基金(s51090381)

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Estimation of component activities in some oxide solid solutions by the molecular interaction vacancy model
2011年
The molecular interaction vacancy model (MIVM) is used to estimate simultaneously activities of all components in a range of entire composition of six binary oxide solid solutions and the MnO-FeO-CaO ternary solid solution by their binary infinite dilute activity coefficients. The average errors are the 0.03%-5.0% for the binaries and the 4.11%-25.2% for the ternary which is less than that (4.84%-41.2%) of the sub-regular solution model (SRSM). This shows that MIVM is more effective and reliable than SRSM for the ternary and does not depend on a polynomial approximation with some ternary adjustable parameters.
Dongping TAO
关键词:分子间相互作用固体氧化物无限稀释活度系数二进制文件二元氧化物
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