Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data

• Published in: Condensed Matter Physics
• Date: 2011
• Main Authors: Gutiérrez-Valladares, E., Lukšič, M., Millán-Malo, B., Hribar-Lee, B., Vlachy, V.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2011
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120010
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data / E. Gutiérrez-Valladares, M. Lukšič, B. Millán-Malo, B. Hribar-Lee, V. Vlachy // Condensed Matter Physics. — 2011. — Т. 14, № 3. — С. 33003: 1-15. — Бібліогр.: 70 назв. — англ.

Accuracy of the mean activity coefficient expression (Hansen-Vieillefosse-Belloni equation), valid within the hypernetted chain (HNC) approximation, was tested in a wide concentration range against new Monte Carlo (MC) data for +1:-1 and +2:-2 primitive model electrolytes. The expression has an adva...