Effects of water content on PAM/PVA interpenetrating network hydrogel performance

Qinghua Wei; Yanen Wang; Mingming Yang; Weihong Chai; Yingfeng Zhang

Effects of water content on PAM/PVA interpenetrating network hydrogel performance

Qinghua Wei, Yanen Wang, Mingming Yang, Weihong Chai, Yingfeng Zhang

School of Mechanical Engineering

Northwestern Polytechnical University Xian

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

To study interpenetrating network hydrogel system of PAM/PVA, molecular dynamics simulation is made to investigate molecular interaction inside a hydrogel system. Effects of water content on PAM/PVA composite hydrogel performance are studied. It is found that cohesive energy density and binding energy of hydrogel system increase with water content increasing. Meanwhile elastic coefficients, engineering modulus and ductility decreased with increasing of water content. In addition, with analysis of pair correlation function, we found that there are mainly hydrogen bonding interactions between H₂O molecules and surrounding atoms or functional groups. Strengths of hydrogen bonds formed are O_water>O_PVA>O_PAM>NPAM, which consists with possibility (difficulty) of forming hydrogen bond.

Original language	English
Pages (from-to)	572-578
Number of pages	7
Journal	Jisuan Wuli/Chinese Journal of Computational Physics
Volume	32
Issue number	5
State	Published - 25 Sep 2015

Keywords

Cohesive energy density
Mechanical properties
Molecular dynamics
Polyacrylamide
Polyvinyl alcohol

Cite this

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abstract = "To study interpenetrating network hydrogel system of PAM/PVA, molecular dynamics simulation is made to investigate molecular interaction inside a hydrogel system. Effects of water content on PAM/PVA composite hydrogel performance are studied. It is found that cohesive energy density and binding energy of hydrogel system increase with water content increasing. Meanwhile elastic coefficients, engineering modulus and ductility decreased with increasing of water content. In addition, with analysis of pair correlation function, we found that there are mainly hydrogen bonding interactions between H2O molecules and surrounding atoms or functional groups. Strengths of hydrogen bonds formed are Owater>OPVA>OPAM>NPAM, which consists with possibility (difficulty) of forming hydrogen bond.",

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TY - JOUR

T1 - Effects of water content on PAM/PVA interpenetrating network hydrogel performance

AU - Wei, Qinghua

AU - Wang, Yanen

AU - Yang, Mingming

AU - Chai, Weihong

AU - Zhang, Yingfeng

PY - 2015/9/25

Y1 - 2015/9/25

N2 - To study interpenetrating network hydrogel system of PAM/PVA, molecular dynamics simulation is made to investigate molecular interaction inside a hydrogel system. Effects of water content on PAM/PVA composite hydrogel performance are studied. It is found that cohesive energy density and binding energy of hydrogel system increase with water content increasing. Meanwhile elastic coefficients, engineering modulus and ductility decreased with increasing of water content. In addition, with analysis of pair correlation function, we found that there are mainly hydrogen bonding interactions between H2O molecules and surrounding atoms or functional groups. Strengths of hydrogen bonds formed are Owater>OPVA>OPAM>NPAM, which consists with possibility (difficulty) of forming hydrogen bond.

AB - To study interpenetrating network hydrogel system of PAM/PVA, molecular dynamics simulation is made to investigate molecular interaction inside a hydrogel system. Effects of water content on PAM/PVA composite hydrogel performance are studied. It is found that cohesive energy density and binding energy of hydrogel system increase with water content increasing. Meanwhile elastic coefficients, engineering modulus and ductility decreased with increasing of water content. In addition, with analysis of pair correlation function, we found that there are mainly hydrogen bonding interactions between H2O molecules and surrounding atoms or functional groups. Strengths of hydrogen bonds formed are Owater>OPVA>OPAM>NPAM, which consists with possibility (difficulty) of forming hydrogen bond.

KW - Cohesive energy density

KW - Mechanical properties

KW - Molecular dynamics

KW - Polyacrylamide

KW - Polyvinyl alcohol

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M3 - 文章

AN - SCOPUS:84949662042

SN - 1001-246X

VL - 32

SP - 572

EP - 578

JO - Jisuan Wuli/Chinese Journal of Computational Physics

JF - Jisuan Wuli/Chinese Journal of Computational Physics

IS - 5

ER -

Effects of water content on PAM/PVA interpenetrating network hydrogel performance

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