Computational Studies Nanotechnology and Solution Thermodynamics of Polymer Systems

Phase Diagrams and Thermodynamics of Demixing of Polystyrene/Solvent Solutions in (T,P,X) Space....Pages 1-13
Thermodynamic and Dynamic Properties of Polymers in Liquid and Supercritical Solvents....Pages 15-27
The Cohesive Energy Density of Polymer Liquids....Pages 29-36
Thermal-Diffusion Driven Concentration Fluctuations in a Polymer Solution....Pages 37-44
Small Angle Neutron Scattering from Polymers in Supercritical Carbon Dioxide....Pages 45-53
Polymer Solutions at High Pressures: Pressure-Induced Miscibility and Phase Separation in Near-critical and Supercritical Fluids....Pages 55-68
The Compatibilization of Polymer Blends with Linear Copolymers: Comparison Between Simulation and Experiment....Pages 69-77
Nanoscale Optical Probes of Polymer Dynamics in Ultrasmall Volumes....Pages 79-91
Molecular Simulation and Modeling of the Structure and Properties of Polymer Nano-Particles....Pages 93-105
Theory of the Production and Properties of Polymer Nanoparticles: Quantum Drops....Pages 107-116
Simulations of Thin Films and Fibers of Amorphous Polymers....Pages 117-126
Identifying and Designing of Calcium Binding Sites in Proteins by Computational Algorithm....Pages 127-138
A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes....Pages 139-150
Classical and Quantum Molecular Simulations in Nanotechnology Applications....Pages 151-157
Computational Design and Analysis of Nanoscale Logic Circuit Molecules....Pages 159-170
Shock and Pressure Wave Propagation in Nano-Fluidic Systems....Pages 171-176