Molecular simulation of effect of cross-linking density on the properties of nitrile rubber

Based on molecular dynamics(MD), nitrile rubber(NBR) models with cross-linking densities of 0, 10%, 15% and 20% were established, and the glass transition temperature and mechanical property of the NBR model under different cross-linking densities were predicted.The results showed that the glass tra...

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Bibliographic Details
Published inHe cheng xiang jiao gong ye Vol. 44; no. 5; pp. 379 - 383
Main Author HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng
Format Journal Article
LanguageChinese
Published Editorial Office of China Synthetic Rubber Industry 01.09.2021
Subjects
cross-linking density
glass transition temperature
mechanical property
molecular simulation
nitrile rubber
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Summary:Based on molecular dynamics(MD), nitrile rubber(NBR) models with cross-linking densities of 0, 10%, 15% and 20% were established, and the glass transition temperature and mechanical property of the NBR model under different cross-linking densities were predicted.The results showed that the glass transition temperature of NBR with a cross-linking density of 0-20% increased with increasing cross-linking density, and the mechanical property first increased and then decreased with the increase of cross-linking density. When the cross-linking density was 10%, NBR could obtain the optimal cross-linking network structure, and its mechanical property was better.
ISSN:1000-1255
DOI:10.19908/j.cnki.ISSN1000-1255.2021.05.0379