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Crystallization of Alkanes at Different Substrates: Computer Simulationстатья
- Авторы: Matseevich S., Matseevich T.
- Журнал: Lecture Notes in Civil Engineering
- Номер: 282
- Год издания: 2023
- Первая страница: 201
- Последняя страница: 209
- DOI: 10.1007/978-3-031-10853-2_19
- Аннотация: The mechanism of crystallization of tetradecane and polycaprolactone on silicon and graphite substrates has been studied. The polymer compounds near the substrates behave differently with the temperature decreasing. The crystallization process can proceed either due to heterogeneous nucleation, or due to the prefreezing process, when a crystalline layer of finite thickness is formed on the entire surface of the substrate. Since it is not always possible to determine which scenario is realized during cooling, the computer simulation should be made first. Two valence-force fields were studied by a dissipative particle dynamic to model systems, which represents various models of coarse-grained polymers. The simplest systems are a melt of tetradecane (C14H30) and a solution of polycaprolactone in toluene. Graphite and silicon were chosen as substrate materials, due to the frequent use of them in precision microscopy studies.
- Добавил в систему: Мацеевич Татьяна Анатольевна