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case1247171422.pdf (611.64 KB)
ETD Abstract Container
Abstract Header
Multiscale Modeling of Polymer Bond Scission
Author Info
Painter, Gallia Marie
Permalink:
http://rave.ohiolink.edu/etdc/view?acc_num=case1247171422
Abstract Details
Year and Degree
2009, Master of Sciences (Engineering), Case Western Reserve University, Chemical Engineering.
Abstract
Polymers under stress, such as during flow or stretching, exhibit deformations that can greatly affect the properties of the material. Bonds within these large molecules stretching and breaking can lead to important consequences for the behavior of the system, and affect the nature of the synthesis and processing of large scale quantities of these materials. Current computer models attempting to simulate these systems have shortcomings that lead them unable to predict many of the properties of these systems that have been observed experimentally, indicating fundamental problems in the treatment of how these molecules deform and cleave. We will attempt to address these shortcomings at a both a quantum level and a molecular dynamics level.
Committee
Daniel Lacks, Dr (Advisor)
James Van Orman, Dr (Committee Member)
Mohan Sankaran, Dr (Committee Member)
Subject Headings
Chemical Engineering
Keywords
CHARMM
;
POLYMER
;
SCISSION
;
elongation
;
BOND
;
chains
;
Chain scission
Recommended Citations
Refworks
EndNote
RIS
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Citations
Painter, G. M. (2009).
Multiscale Modeling of Polymer Bond Scission
[Master's thesis, Case Western Reserve University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=case1247171422
APA Style (7th edition)
Painter, Gallia.
Multiscale Modeling of Polymer Bond Scission.
2009. Case Western Reserve University, Master's thesis.
OhioLINK Electronic Theses and Dissertations Center
, http://rave.ohiolink.edu/etdc/view?acc_num=case1247171422.
MLA Style (8th edition)
Painter, Gallia. "Multiscale Modeling of Polymer Bond Scission." Master's thesis, Case Western Reserve University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=case1247171422
Chicago Manual of Style (17th edition)
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Document number:
case1247171422
Download Count:
758
Copyright Info
© 2009, all rights reserved.
This open access ETD is published by Case Western Reserve University School of Graduate Studies and OhioLINK.