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One important area of study
at PEER is polymer science
in order to gain a fundamental
understanding of the relation
between the molecular structure
of these materials and their
physical and chemical properties.
Glass transition temperatures
of several polymers have
been calculated by PEER/Caltech
with molecular modeling
tools. Thermal stabilities
of polymers for potential
high temperature applications
also are evaluated by molecular
modeling, as well as via
experimental means. These
latter studies have included
an investigation of the
kinetics of the process
by which aqueous polymer
solutions may create a gel
for well-known systems (e.g.
polyacrylamide + heavy metal)
as well as for novel chemistries.
Other studies have focused
on improving the fundamental
understanding of how some
polymers may exhibit high
proton conductivity.
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Model
of Polyacrylamide-Chromium
Gel, evaluated with molecular
modeling
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| RELATED PUBLICATIONS
AND PRESENTATIONS: |
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| 1. Y. Tang, G.
Gao, M. Belmer, W.A. Goddard
"Glass Transition Temperature
of Amorphous Polyethylene
for Molecular Dynamic Simulation:"
1994,11 5, Anual Report from
Molecular Simulation Center,
Caltech. |
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| 2. Y. Tang, G.
Gao, M. Belmer, W.A. Goddard
"Glass Transition Temperature
of Amorphous Polystyrene for
Molecular Dynamic Simulation:"
1994, 11-7 Anual Report from
Molecular Simula tion Center,
Caltech. |
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| 3. W.A. Goddard,
M. Melmares, G. Gao, S. Dasgupta,
Y. Tang, W. Hammond, R. Wissinger,
D. White, P. Adriani "Applications
of Atomistic Simulations to
Design of Materials" Abs of
Papers of the American Chemical
Society, 1994, 207, 103 (Comp)
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| 4. W.A. Goddard,
K.T. Lim, M. Melmares, Y.
Gao, X. Chen, Y. Tang "Simulation
and Design of Materials -
Applications to Polymers,
Ceramics, Semiconductors,
and Catalysis" Abs of Papers
of the American Chemical Society,
1994, 208, 391 (Phys) |
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