Permeability of gases in glassy polymers by computer simulation

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Available Research ProjectsIsaac C.
SanchezStatistical Thermodynamics of
PolymersMonte Carlo, Molecular Dynamic, and
Analytical Methods

• Permeability of gases in glassy polymers by
  computer simulation
• Computer simulations of polyelectrolytes in
  water

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Folding a Polymer Chain into a Simulation Box
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Diffusion Calculation
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Solubility measurement
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Comparison of Permeability of PTMSP and TFE/BDD
at T35C
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Cavity Size Distributions
Xiao-Yan Wang et al. Cavity size distributions in
high free volume glassy polymers by molecular
simulation, POLYMER, 45(11), 3907-3912, 2004.
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Transport Properties of CO2 in PTMSP and TFE/BDD
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Polyelectrolyte Conformational Behaviors
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Biological Implications

• It is remarkable that heating to raise the
  temperature of aqueous solutions can give rise to
  organized proteins this transition provides a
  fundamental mechanism whereby proteins fold and
  function and whereby the energy conversions that
  sustain living organisms can occur at constant
  temperature.
• Urry, D. W. "Physical Chemistry of Biological
  Free Energy Transduction as Demonstrated by
  Elastic Protein-Based Polymers," Journal of
  Physical Chemistry B 1997, 101, (51),
  11007-11028.

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Some Recent PhD Titles

• Statistical Thermodynamics of Stimuli Responsive
  Polymers (2009)
• Effects of Supercritical Fluids on Thin Polymer
  Films (2007)
• Empty Space and How Things Move Around in It
• (2006)
• Monte Carlo Studies of Polymer Chain Solubility
  in Water (2005)
• Exploring Solvent Properties of High Pressure
  CO2 via Computer Simulation (2003)
• Monte Carlo Approaches to the Protein Folding
  Problem (2002)