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Solutions of highly charged rigid polyelectrolytes: The integral equation theory and computer simulationстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 9 марта 2017 г.
- Авторы: Berezkin A.V., Komarov P.V., Talitskikh S.K., Khalatur P.G.
- Журнал: Vysokomolekularnye Soedineniya. Ser.A Ser.B Ser.C - Kratkie Soobshcheniya
- Том: 45
- Номер: 5
- Год издания: 2003
- Издательство: Russian Academy of Sciences
- Местоположение издательства: Russian Federation
- Первая страница: 804
- Последняя страница: 813
- Аннотация: The structural and thermodynamic characteristics of a system of highly charged rigid-chain polyelectrolytes with the explicit incorporation of univalent counterions were studied using the Monte Carlo method and integral equation theory (in the PRISM approximation). Computations were performed for dilute and semidilute solution conditions over a wide temperature range. It was found that, at temperatures below the Manning threshold, the integral equation theory does not ensure exact quantitative agreement with the computer simulation results. On the basis of Monte Carlo calculations, it was shown that the reason for the lower accuracy of the PRISM approximation in the low-temperature region is the formation of locally anisotropic structures in the polymer subsystem. In a semidilute solution in a thermodynamically good solvent, aggregation processes due to the effective attraction of polyions can lead to LC ordering of short rodlike macromolecules.
- Добавил в систему: Комаров Павел Вячеславович