MACROMOLECULE WITH WITH AMPHIPHILIC MONOMER UNITS IN A UNITS IN A BINARY SOLVENT: DISSIPATIVE BINARY SOLVENT: DISSIPATIVE PARTICLE DYNAMICS PARTICLE DYNAMICS SIMULATIONтезисы доклада Тезисы

Работа с тезисами доклада

Прикрепленные файлы


Имя Описание Имя файла Размер Добавлен
1. Полный текст Buglakov.pdf 228,4 КБ 11 декабря 2019 [mglagolev]

[1] Buglakov A. I., Larin D. E., Vasilevskaya V. V. Macromolecule with with amphiphilic monomer units in a units in a binary solvent: Dissipative binary solvent: Dissipative particle dynamics particle dynamics simulation // Сборник тезисов международной конференции Chemistry of Organoelement Compounds and Polymers 2019. — ИНЭОС РАН Москва, 2019. — P. 278–278. Amphiphilic macromolecules are of interest, since they are capable of self-assembling and, thus, can provide simultaneously interfacial tension decreasing while water viscosity increasing for the chemical enhanced oil recovery. Moreover, they can used as drug-delivery vectors, protein sensing devices nanoreactors and so on [1]. In the present work, conformational behavior of the amphiphilic macromolecule at the level of monomer units in a mixture of two solvents was studied in the dissipative particle dynamics (DPD) framework [2]. Using a simple model in which each monomer is represented as two DPD units, structural transitions of a macromolecule with a gradual change in the concentration ratio of two solvents were detected. Also, the dependences of the types of structure on the chain length and on the miscibility of solvents was investigated. With the right choice of parameters, cononsolvency effect can also be observed within this model. Acknowledgments: This research was supported financially by Russian Science Foundation (project number 19-73- 20104) References: 1. V. V. Vasilevskaya, E. N. Govorun, Polymer Reviews 2019, 26, 1558-3724. 2. R. D. Groot, P. B. Warrenm, J. Chem. Phys. 1997, 107, 4423.

Публикация в формате сохранить в файл сохранить в файл сохранить в файл сохранить в файл сохранить в файл сохранить в файл скрыть