Modeling Thermoplastic Polyurethanes: Estane


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Table of Contents

Overview

Statergy

Forcefield

Forcefield

Charges

Kel F-800 amorphous building

Kel F-800 Packing

Cohesive Energy Density

CED

Chain dependance of CED

Polydispersity

OK PVE curves

PV curves

Density of States

Parallelization

Author: Gregg Caldwell

Email: gregg@wag.caltech.edu