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...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autor principal:	HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng
Formato:	article
Lenguaje:	ZH
Publicado:	Editorial Office of China Synthetic Rubber Industry 2021
Materias:	molecular simulation nitrile rubber cross-linking density glass transition temperature mechanical property Organic chemistry QD241-441 Chemical engineering TP155-156 Chemicals: Manufacture, use, etc. TP200-248
Acceso en línea:	https://doaj.org/article/cf005e0b9ebb49b385ee6739feb0521f
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:cf005e0b9ebb49b385ee6739feb0521f
record_format	dspace
spelling	oai:doaj.org-article:cf005e0b9ebb49b385ee6739feb0521f2021-11-19T07:01:59ZMolecular simulation of effect of cross-linking density on the properties of nitrile rubber10.19908/j.cnki.ISSN1000-1255.2021.05.03791000-1255https://doaj.org/article/cf005e0b9ebb49b385ee6739feb0521f2021-09-01T00:00:00Zhttp://hcxjgy.paperopen.com/oa/darticle.aspx?type=view&id=202105009https://doaj.org/toc/1000-1255Based 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.HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zhengEditorial Office of China Synthetic Rubber Industryarticlemolecular simulationnitrile rubbercross-linking densityglass transition temperaturemechanical propertyOrganic chemistryQD241-441Chemical engineeringTP155-156Chemicals: Manufacture, use, etc.TP200-248ZHHecheng xiangjiao gongye, Vol 44, Iss 5, Pp 379-383 (2021)
institution	DOAJ
collection	DOAJ
language	ZH
topic	molecular simulation nitrile rubber cross-linking density glass transition temperature mechanical property Organic chemistry QD241-441 Chemical engineering TP155-156 Chemicals: Manufacture, use, etc. TP200-248
spellingShingle	molecular simulation nitrile rubber cross-linking density glass transition temperature mechanical property Organic chemistry QD241-441 Chemical engineering TP155-156 Chemicals: Manufacture, use, etc. TP200-248 HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
description	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.
format	article
author	HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng
author_facet	HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng
author_sort	HE Shi-yao, WANG hui-ming, WANG Shi-jie, CUI Jian-zheng
title	Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
title_short	Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
title_full	Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
title_fullStr	Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
title_full_unstemmed	Molecular simulation of effect of cross-linking density on the properties of nitrile rubber
title_sort	molecular simulation of effect of cross-linking density on the properties of nitrile rubber
publisher	Editorial Office of China Synthetic Rubber Industry
publishDate	2021
url	https://doaj.org/article/cf005e0b9ebb49b385ee6739feb0521f
work_keys_str_mv	AT heshiyaowanghuimingwangshijiecuijianzheng molecularsimulationofeffectofcrosslinkingdensityonthepropertiesofnitrilerubber
_version_	1718420342150529024

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

Ejemplares similares