Quantum Theory of Polymers


Book Description

The NATO Advanced Study Institute on "Electronic Structure and Properties of Polymers" was held at the Facultes Universitaires de Namur (F.U.N.) from August 31 till September 14, 1977. We wish to express our deepest gratitude to the Scientific Affairs Division of NATO, the main sponsor of this Institute, and to the Facultes Universitaires Notre Dame de la Paix and their Board who gave us generous financial help as well as accommodation for the School. Our sincere thanks to Dr Tilo Kester from the NATO Scien tific Affairs Division and Prof. Roger Troisfontaines, Rector and President ~f the Facultes Notre Dame de la Paix. This volume contains the main lectures of the Institute. It is our great pleasure to thank all the lecturers for their most excellent and interesting lectures and for the clarity of their manuscripts. During the School the participants and lecturers felt that though there has been considerable progress in recent years in the methods applicable to the quantum theoretical treatment of polymers, not very many calculations of their properties have been performed. This is the reason that the title of this volume has been changed to "Quantum Theory of Polymers".




Quantum Theory of Polymers as Solids


Book Description

The goal of this monograph is to summarize the different quantum mechanical methods developed in the last 20 years to treat the electronic structure of polymers. Owing to the nature of the problem, these methods consist of a mixture of quantum-chemical and solid-state physical tech niques. The theory described in Part I treats, besides the Hartree-Fock problem, the· electron correlation, and it has also been developed for disordered polymeric systems. Though for obvious reasons the book could not include all the existing calculations, each new method des cribed is illustrated by a few applications, with a discussion of the numerical results obtained. Far more details see the Introduction to Part I. The second part contains the theoretical calculation of different properties of polymers based on the methods systematically introduced in the first part. The properties calculated include the electronic and vibrational spectra of polymers, and the computation of their transport, magnetic, and mechanical properties. In cases where reliable ex perimental data are available, the theoretical results are compared with them.




Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets


Book Description

Topological restrictions. These are relevant to the understanding of the statistical properties of elementary particles and the entanglement phenomena in polymer physics and biophysics. The Chern-Simons theory of particles with fractional statistics (anyons) is introduced and applied to explain the fractional quantum Hall effect." "The relevance of path integrals to financial markets is discussed, and improvements of the famous Black-Scholes formula for option prices are developed which account for the fact that large market fluctuations occur much more frequently than in Gaussian distributions." --Book Jacket.




Statistical Physics of Polymers


Book Description

From the reviews: "...This book is a very useful addition to polymer literature, and it is a pleasure to recommend it to the polymer community." (J.E. Mark, University of Cincinnati, POLYMER NEWS)




Quantum Chemistry Aided Design Of Organic Polymers: An Introduction To The Quantum Chemistry Of Polymers And Its Applications


Book Description

This book is intended for those who are interested in understanding the electronic structure and properties of polymers. The scope of the book is to provide the non-specialist reader with a comprehensive and unified description: (i) of quantum mechanical methods, mainly originating from quantum chemistry, to calculate the electronic properties of polymers, (ii) of their use for interpreting and predicting results in fields where the electronic structure is playing an important role, like the electrical conductivity and the non linear optical properties of conjugated polymers.It will also serve as a reference book to lecture graduate students on the electronic structure of polymers or more generally of quasi-one dimensional materials. In this framework, it is worth stressing that the quantum theory of polymers bridges the gap between chemistry and physics. Since no book of this kind involving a strong interaction between theoretical and experimental concepts is available at the moment, it will also meet a need for a timely monograph in a field of important and fast growing interest.




Topics In Polymer Physics


Book Description

This book can serve as an introduction to students interested in learning the techniques used in developing mathematical models of physical phenomenon in polymers; or it can furnish the background information to the experienced professional desiring to broaden his/her knowledge of polymers. The senior author presented material in this book to students interested in learning the fundamental mathematics underlying many areas of polymer physics and in lectures to audiences with varying backgrounds in polymer physics. Too many times, the basic equations are presented in final form from either lack of space or the assumption that the derivation is widely disseminated and does not require repetition. A wide variety of topics are covered, from the statistical physics and thermodynamics of polymers, to the optical and electrical behavior of polymers, as well as spectroscopy techniques for polymers.A website for the book is available at the URL: web.mac.com/rsstein1/iWebThis contains pages describing the book, the authors, information about important polymer scientists, links to additional material, book corrections, and recent developments./a




The Equilibrium Theory of Inhomogeneous Polymers


Book Description

This book provides a pedagogical introduction to the theoretical and computer simulation techniques that are useful in the design of polymer formulations including personal care products, multiphase plastic materials, processed foods, and colloidal and nanoparticle dispersions. The book serves to unify previous work in a common language and provides a balanced treatment of analytical theory and numerical techniques, including an introduction to the exciting new field offield-theoretic polymer simulations - the direct numerical simulation of field theory models of meso-structured polymer melts, solutions, and dispersions.




Computational Quantum Chemistry


Book Description

Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. - Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles - Accessibly presents CQC methods applicable to polymerization reactions - Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering




The Theory of Polymer Dynamics


Book Description

This book provides a comprehensive account of the modern theory for the dynamical properties of polymer solutions. The theory has undergone dramatic evolution over the last two decades due to the introduction of new methods and concepts that have extended the frontier of theory from dilute solutions in which polymers move independently to concentrated solutions where many polymers converge. Among the properties examined are viscoelasticity, diffusion, dynamic light scattering, and electric birefringence. Nonlinear viscoelasticity is discussed in detail on the basis of molecular dynamical models. The book bridges the gap between classical theory and new developments, creating a consistent picture of polymer solution dynamics over the entire concentration range.




Quantum Chemistry of Polymers — Solid State Aspects


Book Description

The NATO Advanced Study Institute on "Quantum Chemistry of Polymers; Solid State Aspects" lIIas held at the MARITIM Congress Hotel Braunlage/Harz in the Federal Republic of Germany from July 25 - August 5, 1983. We lIIish to express our deep gratitude to the NATO Scientific Affairs Division, the main sponsor of the Institute, and to the National Foundation for Cancer Research, Bethesda, Maryland for their substantial support. We sincerely thank Dr. Craig Sinclair, Director of the NATO Advanced Study Institutes program as lIIell as the IIIhole Advanced Study Institute/Advanced Research Workshop Advisory Board of the NATO Scientific Affairs Division, IIIho have honored us by holding their external annual meeting during this School in Braunlage. We are very much indebted also to Dr. Mario Di Lullo, Director of the Advanced Research Workshop program of the NATO Scientific Affairs Division IIIho together lIIith Dr. Sinclair has given a very informative lecture about the NATO ASI/ARW programs. Special thanks are due to Mr. Franklin Salisbury, Executive Director of the National Foundation for Cancer Research, to Mrs. Tamara Salisbury, Deputy Director of the National Foundation for Cancer Research and to Dr. Mary Hennen Aldridge, President of the National Foundation for Cancer Research, IIIho also honored the School lIIith their presence.