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Influence of cross-linking rate on the structure of hypercrosslinked networks: Multiscale computer simulationстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 26 сентября 2016 г.
- Авторы: Glagolev Mikhail K., Lazutin Alexei A., Vasilevskaya Valentina V., Khokhlov Alexei R.
- Журнал: Polymer
- Том: 86
- Год издания: 2016
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 168
- Последняя страница: 175
- DOI: 10.1016/j.polymer.2016.01.040
- Аннотация: A multi-scale molecular dynamics simulation was implied to study the formation of hypercrosslinked polystyrene networks at different rates of cross-linking. The rate of cross-linking reaction was controlled by wide-range variation of the probability of chemical bonding between the particles within the reaction distance on individual step of the simulation. The cross-linking was performed in the framework of the coarse-grained model, with the force fields derived from atomistic simulations. The macroscopic properties of network were studied using the atomistic samples restored from the coarse-grained configurations by a reverse mapping procedure. It was shown that the rate of cross-linking influences the structure of "synthesized" hypercrosslinked networks: Slowly cross-linked polymer networks have smaller total specific surface, lower average density, larger pores than those cross-linked at high rate. (C) 2016 Elsevier Ltd. All rights reserved.
- Добавил в систему: Лазутин Алексей Александрович