A new family of bridge functions for electrolyte solutions
We present a new set of closures for restricted models of electrolyte solutions at the McMillan-Mayer level that improve upon the Hypernetted Chain prediction for the ion-ion pair correlation functions. The improvement is accomplished by proposing simple functional forms for the bridge functions...
Збережено в:
| Дата: | 2001 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2001
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120520 |
| Теги: |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | A new family of bridge functions for electrolyte solutions / F.O. Raineri, G. Stell // Condensed Matter Physics. — 2001. — Т. 4, № 4(28). — С. 621-642. — Бібліогр.: 16 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Резюме: | We present a new set of closures for restricted models of electrolyte solutions
at the McMillan-Mayer level that improve upon the Hypernetted Chain
prediction for the ion-ion pair correlation functions. The improvement is accomplished
by proposing simple functional forms for the bridge functions
and the specification of certain adjusting parameters according to several
criteria. Under the new closures, and unlike the HNC case, the “sum” direct
correlation function, which is crucial for determining the stability of the
solution with respect to phase separation, remains finite at thermodynamic
states along the spinodal and at the critical point. |
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