Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems

ISBN-13: 9781441933560 / Angielski / Miękka / 2010 / 178 str.

Mark D. Dadmun; W. Alexander Van Hook; Donald W. Noid

Opis

This text is the published version of many ofthe talks presented at two symposiums held as part of the Southeast Regional Meeting of the American Chemical Society (SERMACS) in Knoxville, TN in October, 1999. The Symposiums, entitled Solution Thermodynamics of Polymers and Computational Polymer Science and Nanotechnology, provided outlets to present and discuss problems of current interest to polymer scientists. It was, thus, decided to publish both proceedings in a single volume. The first part of this collection contains printed versions of six of the ten talks presented at the Symposium on Solution Thermodynamics of Polymers organized by Yuri B. Melnichenko and W. Alexander Van Hook. The two sessions, further described below, stimulated interesting and provocative discussions. Although not every author chose to contribute to the proceedings volume, the papers that are included faithfully represent the scope and quality of the symposium. The remaining two sections are based on the symposium on Computational Polymer Science and Nanotechnology organized by Mark D. Dadmun, Bobby G. Sumpter, and Don W. Noid. A diverse and distinguished group of polymer and materials scientists, biochemists, chemists and physicists met to discuss recent research in the broad field of computational polymer science and nanotechnology. The two-day oral session was also complemented by a number of poster presentations. The first article of this section is on the important subject of polymer blends. M. D.

Spis treści

Introduction. Thermodynamics of Polymer Systems. Phase Diagrams and Thermodynamics of Demixing of Polystyrene/Solvent Solutions in (T,P,X) Space; W.A. Van Hook. Thermodynamic and Dynamic Properties of Polymers in Liquid and Supercritical Solvents; Y.B. Melnichenko, et al. The Cohesive Energy Density of Polymer Liquids; G.T. Dee, B.B. Sauer. Thermal-Diffusion Driven Concentration Fluctuations in a Polymer Solution; J.V. Sengers, et al. Small Angle Neutron Scattering from Polymers in Supercritical Carbon Dioxide; G.D. Wignall. Polymer Solutions at High Pressures: Pressure-Induced Miscibility and Phase Separation in Near-Critical and Supercritical Fluids; E. Kiran, et al. Computational Polymer Science. The Compatibilization of Polymer Blends with Linear Copolymers: Comparison Between Simulation and Experiment; M.D. Dadmun. Nanoscale Optical Probes of Polymer Dynamics in Ultrasmall Volumes; M.D. Barnes, et al. Molecular Simulation and Modeling of the Structure and Properties of Polymer Nanoparticles; B.G. Sumpter, et al. Theory of the Production and Properties of Polymer Nanoparticles: Quantum Drops; K. Runge, et al. Simulations of Thin Films and Fibers of Amorphous Polymers; V. Vao-soongnern, et al. Identifying and Designing of Calcium Binding Sites in Proteins by Computational Algorithm; W. Yang, et al. Nanotechnology. A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes; P.J. MacDougall, M.C. Levit. Classical and Quantum Molecular Simulations in Nanotechnology Applications; R.E. Tuzun. Computational Design and Analysis of Nanoscale Logic Circuit Molecules; K.K. Taylor, et al. Shock and Pressure Wave Propagation in Nano-fluidic Systems; D.W. Noid, et al. Index.