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Comparison Among Pitzer Model and Solvation Models. Calculation of Osmotic and Activity Coefficients and Dilution Enthalpy for Single-Electrolyte Aqueous Solutions
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2018-07-19 , DOI: 10.1021/acs.iecr.8b00699
Javier Temoltzi-Avila 1 , Gustavo A. Iglesias-Silva 1 , Mariana Ramos-Estrada 2
Affiliation  

We have compared the performance of the Pitzer model and solvation models in the correlation of the mean activity and osmotic coefficients of 338 electrolyte solutions at 298.15 K and the temperature dependence of 47 electrolyte solutions. We have collected and compared their performance using experimental data for 1:1, 1:2, 1:3, 1:4, 2:1, 2:2, 3:2, and 4:1 electrolyte solutions. We show that the performance of the Pitzer model is about 54% better than the other two models of all cases. The average standard deviations are 0.63, 1.41, and 1.47, for the Pitzer, and the solvation models, respectively, at 298.15 K. In the case of the temperature dependence, the Pitzer model is 91% better for the correlation of the activity and osmotic coefficients. However, it is only 9% better in the calculation of the dilution enthalpies in which the solvation models perform better.

中文翻译:

Pitzer模型和溶剂化模型之间的比较。单电解质水溶液的渗透活度系数和稀释焓的计算

我们比较了Pitzer模型和溶剂化模型在338.电解质溶液在298.15 K时的平均活度和渗透系数与47种电解质溶液的温度依赖性之间的相关性。我们使用1:1、1:2、1:3、1:4、2:1、2:2、3:2和4:1电解质溶液的实验数据收集并比较了它们的性能。我们显示,在所有情况下,Pitzer模型的性能都比其他两个模型好约54%。对于Pitzer模型和溶剂化模型,在298.15 K时的平均标准偏差分别为0.63、1.41和1.47。在温度依赖性的情况下,Pitzer模型的活度与渗透压相关性要好91%。系数。然而,
更新日期:2018-07-20
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