Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Can the crystallization of conjugated polymers be taken into account in simple mesoscopic models?

P.O. Baburkin1, M.D. Malyshev1, V.A. Ivanov2, P.V. Komarov1,4

1Tver State University, Tver, Russia

2M.V. Lomonosov Moscow State University, Moscow, Russia

3A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russia

DOI: 10.26456/pcascnn/2019.11.398

Abstract: The problem is considered of constructing coarse-grained models of matrices of conjugated polymers with regard to their crystallization. The performed simulation within the framework of the method of dissipative particle dynamics shows that to simulate the crystallization process, flexible-semi-flexible chains with thermodynamically incompatible blocks can be used.

Keywords: hydrogel, conjugated polymers, crystallization, mesoscopic modeling.

Bibliography link:

Baburkin, P.O. Can the crystallization of conjugated polymers be taken into account in simple mesoscopic models? / P.O. Baburkin, M.D. Malyshev, V.A. Ivanov et al. // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2019. – I. 11. – P. 398-405.

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