کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9588634 | 1506645 | 2005 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Thermodynamic properties of charge asymmetric mixed electrolytes in the primitive model
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Theoretical results for the structure and thermodynamics of charge asymmetric but equal size electrolyte mixtures obtained by the hypernetted-chain (HNC) integral equation are presented. The electrolytes are modeled as charged hard spheres in a dielectric continuum. The results for the excess energies, osmotic and activity coefficients for mixtures of +2:â1 and +1:â1 electrolytes with a common ion were calculated as a function of composition in the range of ionic strength from I=10â4 to 1.2 M. From these data, the first two mixing coefficients for the excess internal energy (qi) and excess osmotic pressure (wi) were determined. The hypernetted-chain results were used to analyze experimental data for mixtures of NaCl and MgCl2 in water. The zeroth mixing coefficient w0 for the excess osmotic pressure was compared with the experimental data for this quantity, obtained from osmotic pressure measurements of MgCl2 and NaCl mixtures in water. In addition, the Harned coefficients for the activity coefficients were calculated and compared with the experimental values. The agreement between theory and experiment for the w0 results and Harned coefficients αij is fair. In addition, the hypernetted-chain calculations were compared with existing and new Monte Carlo (MC) data for the excess energies and osmotic coefficients as functions of composition of the model mixture.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 118, Issues 1â3, 15 April 2005, Pages 163-169
Journal: Journal of Molecular Liquids - Volume 118, Issues 1â3, 15 April 2005, Pages 163-169
نویسندگان
B. Hribar Lee, V. Vlachy,