{"title":"纳米颗粒表面改性对高交联环氧纳米复合材料力学性能的影响:介观模拟","authors":"M. D. Malyshev, D. V. Guseva, P. V. Komarov","doi":"10.1134/S0012501621090025","DOIUrl":null,"url":null,"abstract":"<p>A mesoscopic model of a nanocomposite based on crosslinked polymer networks with embedded clay nanoparticles was developed. The model makes it possible to predict the main trends in changes in the mechanical properties of systems, taking into account the degree of crosslinking of nanoparticles with a polymer matrix. The performed simulations showed that modified nanoparticles can significantly improve the Young’s modulus of the nanocomposite compared to the unfilled polymer. It was also shown that the average value of the number of load-bearing chains determines the mechanical response of the coarse-grained model of the polymer system.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"500 1","pages":"92 - 96"},"PeriodicalIF":1.1000,"publicationDate":"2022-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effect of Surface Modification of Nanoparticles on the Mechanical Properties of Highly Crosslinked Epoxy Nanocomposites: Mesoscopic Simulation\",\"authors\":\"M. D. Malyshev, D. V. Guseva, P. V. Komarov\",\"doi\":\"10.1134/S0012501621090025\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>A mesoscopic model of a nanocomposite based on crosslinked polymer networks with embedded clay nanoparticles was developed. The model makes it possible to predict the main trends in changes in the mechanical properties of systems, taking into account the degree of crosslinking of nanoparticles with a polymer matrix. The performed simulations showed that modified nanoparticles can significantly improve the Young’s modulus of the nanocomposite compared to the unfilled polymer. It was also shown that the average value of the number of load-bearing chains determines the mechanical response of the coarse-grained model of the polymer system.</p>\",\"PeriodicalId\":532,\"journal\":{\"name\":\"Doklady Physical Chemistry\",\"volume\":\"500 1\",\"pages\":\"92 - 96\"},\"PeriodicalIF\":1.1000,\"publicationDate\":\"2022-02-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Doklady Physical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0012501621090025\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Doklady Physical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0012501621090025","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Effect of Surface Modification of Nanoparticles on the Mechanical Properties of Highly Crosslinked Epoxy Nanocomposites: Mesoscopic Simulation
A mesoscopic model of a nanocomposite based on crosslinked polymer networks with embedded clay nanoparticles was developed. The model makes it possible to predict the main trends in changes in the mechanical properties of systems, taking into account the degree of crosslinking of nanoparticles with a polymer matrix. The performed simulations showed that modified nanoparticles can significantly improve the Young’s modulus of the nanocomposite compared to the unfilled polymer. It was also shown that the average value of the number of load-bearing chains determines the mechanical response of the coarse-grained model of the polymer system.
期刊介绍：
Doklady Physical Chemistry is a monthly journal containing English translations of current Russian research in physical chemistry from the Physical Chemistry sections of the Doklady Akademii Nauk (Proceedings of the Russian Academy of Sciences). The journal publishes the most significant new research in physical chemistry being done in Russia, thus ensuring its scientific priority. Doklady Physical Chemistry presents short preliminary accounts of the application of the state-of-the-art physical chemistry ideas and methods to the study of organic and inorganic compounds and macromolecules; polymeric, inorganic and composite materials as well as corresponding processes. The journal is intended for scientists in all fields of chemistry and in interdisciplinary sciences.
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