Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems

by Dadmun, Mark D.; Van Hook, W. Alexander; Noid, Donald W.; Melnichenko, Yuri B.; Sumpter, Robert G.

• ISBN13: 9780306465499
• ISBN10: 0306465493
• Format: Hardcover
• Copyright: 2001-02-01
• Publisher: Plenum Pub Corp

Summary

This volume combines two symposia, Computational Polymer Science and Nanotechnology, and Solution Thermodynamics of Polymers, both held at the Southeastern Regional Meeting of the American Chemical Society, October 17-20, 1999, in Knoxville, Tennessee. Both symposia brought together leaders, pioneers, and promising researchers in the area of the physical chemistry of polymers. The first meeting concentrated on computational techniques, while the other presented recent work on both experimental and theoretical works in the physical chemistry of polymers.

Table of Contents

THERMODYNAMICS OF POLYMER SYSTEMS
Phase Diagrams and Thermodynamics of Demixing of Polystyrene/Solvent Solutions in (T,P,X) Space	1	(14)
W. Alexander Van Hook
Thermodynamic and Dynamic Properties of Polymers in Liquid and Supercritical Solvents	15	(14)
Yuri B. Melnichenko
G. D. Wignall
W. Brown
E. Kiran
H. D. Cochran
S. Salaniwal
K. Heath
W. A. Van Hook
M. Stamm
The Cohesive Energy Density of Polymer Liquids	29	(8)
G. T. Dee
Bryan B. Sauer
Thermal-Diffusion Driven Concentration Fluctuations in a Polymer Solution	37	(8)
J. V. Sengers
R. W. Gammon
J. M. Ortiz de Zarate
Small Angle Neutron Scattering from Polymers in Supercritical Carbon Dioxide	45	(10)
George D. Wignall
Polymer Solutions at High Pressures: Pressure-Induced Miscibility and Phase Separation in Near-Critical and Supercritical Fluids	55	(14)
Erdogan Kiran
Ke Liu
Zeynep Bayraktar
COMPUTATIONAL POLYMER SCIENCE
The Compatibilization of Polymer Blends with Linear Copolymers: Comparison between Simulation and Experiment	69	(10)
M.D. Dadmun
Nanoscale Optical Probes of Polymer Dynamics in Ultrasmall Volumes	79	(14)
M.D. Barnes
J.V. Ford
K. Fukui
B.G. Sumpter
D.W. Noid
J.U. Otaigbe
Molecular Simulation and Modeling of the Structure and Properties of Polymer Nanoparticles	93	(14)
B.G. Sumpter
K. Fukui
M.D. Barnes
D.W. Noid
Theory of the Production and Properties of Polymer Nanoparticles: Quantum Drops	107	(10)
K. Runge
K. Fukui
M. A. Akerman
M.D. Barnes
B.G. Sumpter
D.W. Noid
Simulations of Thin Films and Fibers of Amorphous Polymers	117	(10)
V. Vao-soongnern
P. Doruker
W.L. Mattice
Identifying and Designing of Calcium Binding Sites in Proteins by Computational Algorithm	127	(12)
W. Yang
H.-W. Lee
M. Pu
H. Hellinga
J.J. Yang
NANOTECHNOLOGY
A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes	139	(12)
P.J. MacDougall
M.C. Levit
Classical and Quantum Molecular Simulations in Nanotechnology Applications	151	(8)
R. E. Tuzun
Computational Design and Analysis of Nanoscale Logic Circuit Molecules	159	(12)
K.K. Taylor
D.A. Buzatu
J.A. Darsey
Shock and Pressure Wave Propagation in Nano-fluidic Systems	171	(6)
D.W. Noid
R.E. Tuzun
K. Runge
B.G. Sumpter
Index	177