Monte Carlo Study of the Thermodynamics of Electrolyte Solutions
作者： D. N. Card , J. P. Valleau
DOI: 10.1063/1.1672932
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摘要: Monte Carlo techniques have been used to study the primitive model of an ionic solution. The parameters chosen correspond a simple 1:1 electrolyte dissolved in water at 25°C. Data are derived for pair distribution functions, excess internal energy and heat capacity, osmotic coefficient, mean activity range 0.01–2M. results compared with nonlinear form Debye–Huckel theory integral equation Percus–Yevick hypernetted chain approximations. last appears be excellent up 1M.
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