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Structural and Thermo-Mechanical Pro...

Medidhi, Koteswara Rao.

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Structural and Thermo-Mechanical Properties of Polymer Nanocomposites.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Structural and Thermo-Mechanical Properties of Polymer Nanocomposites./
Author:	Medidhi, Koteswara Rao.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2020,
Description:	164 p.
Notes:	Source: Dissertations Abstracts International, Volume: 81-12.
Contained By:	Dissertations Abstracts International81-12.
Subject:	Chemical engineering. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=27744991
ISBN:	9798645468378

Structural and Thermo-Mechanical Properties of Polymer Nanocomposites.
Medidhi, Koteswara Rao.

Structural and Thermo-Mechanical Properties of Polymer Nanocomposites. - Ann Arbor : ProQuest Dissertations & Theses, 2020 - 164 p.

Source: Dissertations Abstracts International, Volume: 81-12.

Thesis (Ph.D.)--Tennessee Technological University, 2020.

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

Molecular dynamics (MD) simulations were used to study the structural and thermo-mechanical properties of polymer nanocomposites (PNC) containing "bare", polymer-grafted (PGNP), and polyelectrolyte-grafted (PENP) nanoparticles. The viscosity of PNCs and the segmental packing of polymer chains in the vicinity of nanoparticles were investigated as a function of interactions and size distribution of nanoparticles. The local chain dynamics and the behavior of monomer segments at the polymer-nanoparticle interface were found to have a strong influence on the viscosity. Secondly, the diffusivity of PGNPs in a homopolymer matrix was investigated as a function of graft length and grafting density, and compared to that of bare nanoparticles with similar effective size. In addition to the increase in effective size due to grafting, the interpenetration of matrix polymers into the grafted layer also plays an important role in the mobility of PGNPs. In systems consisting of both PGNPs and bare particles, the spatial arrangement of the bare particles had a significant influence on the mobility of PGNPs. The bare particles migrate to the interface and hinder the interpenetration that results in the higher mobility of PGNPs. Lastly, the structural and flow properties of PENPs in a solution have been investigated as a function of pH. Strong polyelectrolytes stretch because of electrostatic repulsion regardless of grafting density. At intermediate pH, the hydrogen bonding between the ionized and non-ionized groups dictate the structural and flow properties of PENPs in solution. This detailed study will be a useful road map to guide future experimental and theoretical studies into the role of the interfacial region between polymers and nanoparticles for various applications.

ISBN: 9798645468378Subjects--Topical Terms:

560457
Chemical engineering.

Structural and Thermo-Mechanical Properties of Polymer Nanocomposites.
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300 $a 164 p.
500 $a Source: Dissertations Abstracts International, Volume: 81-12.
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502 $a Thesis (Ph.D.)--Tennessee Technological University, 2020.
506 $a This item must not be sold to any third party vendors.
520 $a Molecular dynamics (MD) simulations were used to study the structural and thermo-mechanical properties of polymer nanocomposites (PNC) containing "bare", polymer-grafted (PGNP), and polyelectrolyte-grafted (PENP) nanoparticles. The viscosity of PNCs and the segmental packing of polymer chains in the vicinity of nanoparticles were investigated as a function of interactions and size distribution of nanoparticles. The local chain dynamics and the behavior of monomer segments at the polymer-nanoparticle interface were found to have a strong influence on the viscosity. Secondly, the diffusivity of PGNPs in a homopolymer matrix was investigated as a function of graft length and grafting density, and compared to that of bare nanoparticles with similar effective size. In addition to the increase in effective size due to grafting, the interpenetration of matrix polymers into the grafted layer also plays an important role in the mobility of PGNPs. In systems consisting of both PGNPs and bare particles, the spatial arrangement of the bare particles had a significant influence on the mobility of PGNPs. The bare particles migrate to the interface and hinder the interpenetration that results in the higher mobility of PGNPs. Lastly, the structural and flow properties of PENPs in a solution have been investigated as a function of pH. Strong polyelectrolytes stretch because of electrostatic repulsion regardless of grafting density. At intermediate pH, the hydrogen bonding between the ionized and non-ionized groups dictate the structural and flow properties of PENPs in solution. This detailed study will be a useful road map to guide future experimental and theoretical studies into the role of the interfacial region between polymers and nanoparticles for various applications.
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