CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ?
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-flex...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | Russian |
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Tver State University
2019-12-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | https://physchemaspects.ru/2019/doi-10-26456-pcascnn-2019-11-398/?lang=en |
| _version_ | 1818525258781556736 |
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| author | P.O. Baburkin M.D. Malyshev V.A. Ivanov P.V. Komarov |
| author_facet | P.O. Baburkin M.D. Malyshev V.A. Ivanov P.V. Komarov |
| author_sort | P.O. Baburkin |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-11T06:07:06Z |
| format | Article |
| id | doaj.art-a771cd51bc5d4316a7617e1375913729 |
| institution | Directory Open Access Journal |
| issn | 2226-4442 2658-4360 |
| language | Russian |
| last_indexed | 2024-12-11T06:07:06Z |
| publishDate | 2019-12-01 |
| publisher | Tver State University |
| record_format | Article |
| series | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| spelling | doaj.art-a771cd51bc5d4316a7617e13759137292022-12-22T01:18:15ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602019-12-011139840510.26456/pcascnn/2019.11.398CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ?P.O. Baburkin0M.D. Malyshev1V.A. Ivanov2P.V. Komarov3Tver State University, Tver, RussiaTver State University, Tver, RussiaM.V. Lomonosov Moscow State University, Moscow, RussiaTver State University, Tver, Russia , A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, RussiaThe 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.https://physchemaspects.ru/2019/doi-10-26456-pcascnn-2019-11-398/?lang=enhydrogelconjugated polymerscrystallizationmesoscopic modeling |
| spellingShingle | P.O. Baburkin M.D. Malyshev V.A. Ivanov P.V. Komarov CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов hydrogel conjugated polymers crystallization mesoscopic modeling |
| title | CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? |
| title_full | CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? |
| title_fullStr | CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? |
| title_full_unstemmed | CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? |
| title_short | CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ? |
| title_sort | can the crystallization of conjugated polymers be taken into account in simple mesoscopic models |
| topic | hydrogel conjugated polymers crystallization mesoscopic modeling |
| url | https://physchemaspects.ru/2019/doi-10-26456-pcascnn-2019-11-398/?lang=en |
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