EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study

Expanded polystyrene (EPS) concrete has high environmental and economic benefits. However, the difference in physical and chemical properties leads to a weak interface between EPS and concrete, which limits the use of EPS concrete. Based on the macro experiment of Ethylene Vinyl Acetate Copolymer (E...

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Autores principales:	Yong Feng, Dajing Qin, Lijuan Li, Yuan Li, Chao Wang, PeiYan Wang
Formato:	article
Lenguaje:	EN
Publicado:	Taylor & Francis Group 2021
Materias:	eps concrete eva enhancement mechanism molecular dynamics simulation interfacial interaction Materials of engineering and construction. Mechanics of materials TA401-492 Chemical technology TP1-1185
Acceso en línea:	https://doaj.org/article/662db8376fcb42d59681754ddfde9eff
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spelling	oai:doaj.org-article:662db8376fcb42d59681754ddfde9eff2021-11-26T11:19:48ZEVA enhances the interfacial strength of EPS concrete: a molecular dynamics study1745-80801745-809910.1080/17458080.2021.2003338https://doaj.org/article/662db8376fcb42d59681754ddfde9eff2021-01-01T00:00:00Zhttp://dx.doi.org/10.1080/17458080.2021.2003338https://doaj.org/toc/1745-8080https://doaj.org/toc/1745-8099Expanded polystyrene (EPS) concrete has high environmental and economic benefits. However, the difference in physical and chemical properties leads to a weak interface between EPS and concrete, which limits the use of EPS concrete. Based on the macro experiment of Ethylene Vinyl Acetate Copolymer (EVA) modified EPS concrete, two molecular dynamics interface models of EPS/C-S-H and EPS/EVA/C-S-H were constructed by molecular dynamics simulation, and their interface strengthening mechanism was discussed. The results of interfacial interaction analysis show that EVA increases the interfacial interaction energy and binding energy between EPS and C-S-H, and improves the adhesion between EPS and cement base. The results of radial distribution function analysis show that in the model with the modifier, there are not only Van der Waals forces and hydrogen bonds in the model without the modifier, but also strong interactions such as Ca - = O and OT - = O. The results of mechanical property analysis show that the elastic modulus of EPS concrete interface model after adding modifier is improved, and its interface properties are improved. The molecular dynamics simulation carried out in this paper shows that EVA acts as a bridge between EPS and C-S-H and enhances its interfacial properties. This study can provide basic theoretical support for the application of EPS concrete and reference for the development of high-performance composite cement-based materials.Yong FengDajing QinLijuan LiYuan LiChao WangPeiYan WangTaylor & Francis Grouparticleeps concreteeva enhancement mechanismmolecular dynamics simulationinterfacial interactionMaterials of engineering and construction. Mechanics of materialsTA401-492Chemical technologyTP1-1185ENJournal of Experimental Nanoscience, Vol 16, Iss 1, Pp 383-397 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	eps concrete eva enhancement mechanism molecular dynamics simulation interfacial interaction Materials of engineering and construction. Mechanics of materials TA401-492 Chemical technology TP1-1185
spellingShingle	eps concrete eva enhancement mechanism molecular dynamics simulation interfacial interaction Materials of engineering and construction. Mechanics of materials TA401-492 Chemical technology TP1-1185 Yong Feng Dajing Qin Lijuan Li Yuan Li Chao Wang PeiYan Wang EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
description	Expanded polystyrene (EPS) concrete has high environmental and economic benefits. However, the difference in physical and chemical properties leads to a weak interface between EPS and concrete, which limits the use of EPS concrete. Based on the macro experiment of Ethylene Vinyl Acetate Copolymer (EVA) modified EPS concrete, two molecular dynamics interface models of EPS/C-S-H and EPS/EVA/C-S-H were constructed by molecular dynamics simulation, and their interface strengthening mechanism was discussed. The results of interfacial interaction analysis show that EVA increases the interfacial interaction energy and binding energy between EPS and C-S-H, and improves the adhesion between EPS and cement base. The results of radial distribution function analysis show that in the model with the modifier, there are not only Van der Waals forces and hydrogen bonds in the model without the modifier, but also strong interactions such as Ca - = O and OT - = O. The results of mechanical property analysis show that the elastic modulus of EPS concrete interface model after adding modifier is improved, and its interface properties are improved. The molecular dynamics simulation carried out in this paper shows that EVA acts as a bridge between EPS and C-S-H and enhances its interfacial properties. This study can provide basic theoretical support for the application of EPS concrete and reference for the development of high-performance composite cement-based materials.
format	article
author	Yong Feng Dajing Qin Lijuan Li Yuan Li Chao Wang PeiYan Wang
author_facet	Yong Feng Dajing Qin Lijuan Li Yuan Li Chao Wang PeiYan Wang
author_sort	Yong Feng
title	EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
title_short	EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
title_full	EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
title_fullStr	EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
title_full_unstemmed	EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study
title_sort	eva enhances the interfacial strength of eps concrete: a molecular dynamics study
publisher	Taylor & Francis Group
publishDate	2021
url	https://doaj.org/article/662db8376fcb42d59681754ddfde9eff
work_keys_str_mv	AT yongfeng evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy AT dajingqin evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy AT lijuanli evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy AT yuanli evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy AT chaowang evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy AT peiyanwang evaenhancestheinterfacialstrengthofepsconcreteamoleculardynamicsstudy
_version_	1718409475672506368

EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study

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