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Investigation of the Polyvinyl Alcoh...

Zhang, Siteng.

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Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study./
Author:	Zhang, Siteng.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2021,
Description:	44 p.
Notes:	Source: Masters Abstracts International, Volume: 82-12.
Contained By:	Masters Abstracts International82-12.
Subject:	Polymer chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28582709
ISBN:	9798728265979

Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study.
Zhang, Siteng.

Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study. - Ann Arbor : ProQuest Dissertations & Theses, 2021 - 44 p.

Source: Masters Abstracts International, Volume: 82-12.

Thesis (M.S.)--The University of Akron, 2021.

This item must not be sold to any third party vendors.

Graphene has been widely used in nanocomposites as reinforcement because of its excellent physical properties. Polyvinyl alcohol (PVA) is one of the common matrix polymers and it is favorable interaction with hydrophilic reinforcement is attributed to its hydrogen bonds. However, investigating the structure of the buried interface through traditional experimental characterization methods is quite challenging. Molecular-level simulations have been very helpful in characterizing buried interfaces such as the molecular structure, hydrogen bond effect, orientation, etc. In the present study, using molecular dynamics simulations, we investigated the structure and dynamics of polyvinyl alcohol molecules near single-layer graphene. The effect of polymer chain length, temperature, and the distance between the confining graphene layers on the structure and dynamics of PVA chains have been investigated.

ISBN: 9798728265979Subjects--Topical Terms:

3173488
Polymer chemistry.
Subjects--Index Terms:

Graphene

Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study.
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245 1 0 $a Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study.
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300 $a 44 p.
500 $a Source: Masters Abstracts International, Volume: 82-12.
500 $a Advisor: Tsige, Mesfin.
502 $a Thesis (M.S.)--The University of Akron, 2021.
506 $a This item must not be sold to any third party vendors.
520 $a Graphene has been widely used in nanocomposites as reinforcement because of its excellent physical properties. Polyvinyl alcohol (PVA) is one of the common matrix polymers and it is favorable interaction with hydrophilic reinforcement is attributed to its hydrogen bonds. However, investigating the structure of the buried interface through traditional experimental characterization methods is quite challenging. Molecular-level simulations have been very helpful in characterizing buried interfaces such as the molecular structure, hydrogen bond effect, orientation, etc. In the present study, using molecular dynamics simulations, we investigated the structure and dynamics of polyvinyl alcohol molecules near single-layer graphene. The effect of polymer chain length, temperature, and the distance between the confining graphene layers on the structure and dynamics of PVA chains have been investigated.
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653 $a Simulation interface
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