Faculty Advisor

Deskins, N Aaron

Abstract

The goal of this work was to determine if molecular dynamics as represented by the United-Atom method employed by the DL_POLY2 software package could explain polymer phenomena such as melting point temperature, glass transition temperature, crystallization, and density, and assess the effect of side group length, branching, chemical structure, length of polymer, and temperature. The verified model will then serve as a confident tool in the prediction of the properties of polymeric systems. The aim was to apply molecular dynamics simulations to polymers relevant to the running shoe industry.

Publisher

Worcester Polytechnic Institute

Date Accepted

April 2012

Major

Chemical Engineering

Project Type

Major Qualifying Project

Accessibility

Unrestricted

Advisor Department

Chemical Engineering

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