Download or read book Conformational Theory of Large Molecules written by Wayne L. Mattice and published by Wiley-Interscience. This book was released on 1994-11-04 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ubiquitous computers, coupled with software packages for the visualization and manipulation of atom-based polymer models, also contribute to increased use of the technique.
Download or read book Rotational Isomeric State Models in Macromolecular Systems written by Matthias Rehan and published by Springer. This book was released on 2006-05-09 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past 40 years, RIS models for hundreds of polymer structures have been developed, and now the RIS approach is available in several software packages. However, users are often faced with the time-consuming task of finding the appropriate RIS parameters among the literature. This book facilitates this task by providing a comprehensive overview of the models available. It reviews the literature from the very first applications to the end of 1994, comprises synthetic as well as naturally occuring macromolecules, and tabulates all the pertinent features of published models. It will thus help readers, even those new to this method, to take advantage of this computationally efficient way of assessing the conformational properties of macromolecular systems.
Download or read book Structures and Conformations of Non Rigid Molecules written by J. Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.
Download or read book Conformations written by Alan E. Tonelli and published by CRC Press. This book was released on 2020-04-06 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Among the materials found in Nature’s many diverse living organisms or produced by human industry, those made from polymers are dominant. In Nature, they are not only dominant, but they are, as well, uniquely necessary to life. Conformations: Connecting the Chemical Structures and Material Behaviors of Polymers explores how the detailed chemical structures of polymers can be characterized, how their microstructural-dependent conformational preferences can be evaluated, and how these conformational preferences can be connected to the behaviors and properties of their materials. The authors examine the connections between the microstructures of polymers and the rich variety of physical properties they evidence. Detailed polymer architectures, including the molecular bonding and geometries of backbone and side-chain groups, monomer stereo- and regiosequences, comonomer sequences, and branching, are explicitly considered in the analysis of the conformational characteristics of polymers. This valuable reference provides practicing materials engineers as well as polymer and materials science students a means of understanding the differences in behaviors and properties of materials made from chemically distinct polymers. This knowledge can assist the reader design polymers with chemical structures that lead to their desired material behaviors and properties.
Download or read book Conformational Analysis of Polymers written by Yuji Sasanuma and published by John Wiley & Sons. This book was released on 2023-03-31 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Conformational Analysis of Polymers Comprehensive resource focusing on theoretical methods and experimental techniques to analyze physical polymer chemistry Connecting varied issues to demonstrate the impact on areas like biodegradability, environmental friendliness, structure-property relationship, and molecular design, Conformational Analysis of Polymers introduces theoretical methods and experimental techniques to analyze physical polymer chemistry. Opening with a description of fundamental concepts and then describing the conformational characteristics of various polymers, including different heteroatoms and chemical species, the text continues onto the applications of density functional theory (DFT) to polymer crystals and structure-property relationships. The book concludes by bringing these issues together to demonstrate their practical impact on different areas of the field. Various methods and techniques, including DFT, statistical mechanics, NMR, spectroscopy, and molecular orbital theory, are also covered. Written by a highly qualified author, Conformational Analysis of Polymers explores sample topics such as: Fundamentals of polymer physical chemistry: stereochemistry of polymers, models for polymeric chains, Flory-Huggins theory, and rubber elasticity Quantum chemistry for polymers: ab initio molecular orbital theory, DFT, NMR parameters, and periodic DFT of polymer crystals Statistical mechanics of polymeric chains: basic rotational isomeric state (RIS) scheme, refined RIS method, inversional-rotational isomeric state method, and probability theory for RIS scheme Experimental techniques: NMR and scattering methods Providing a timely update to the field of chain conformations of synthetic polymers and connecting fundamental theoretical approaches, experimental techniques, and case study applications; Conformational Analysis of Polymers is an essential resource for polymer chemists, physicists, and material scientists, industrial engineers who synthesize and process polymers, and academic researchers.
Download or read book Giant Molecules written by A. I?U. Grosberg and published by World Scientific. This book was released on 2011 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: ?? Giant molecules are important in our everyday life. But, as pointed out by the authors, they are also associated with a culture. What Bach did with the harpsichord, Kuhn and Flory did with polymers. We owe a lot of thanks to those who now make this music accessible ??Pierre-Gilles de GennesNobel Prize laureate in Physics(Foreword for the 1st Edition, March 1996)This book describes the basic facts, concepts and ideas of polymer physics in simple, yet scientifically accurate, terms. In both scientific and historic contexts, the book shows how the subject of polymers is fascinating, as it is behind most of the wonders of living cell machinery as well as most of the newly developed materials. No mathematics is used in the book beyond modest high school algebra and a bit of freshman calculus, yet very sophisticated concepts are introduced and explained, ranging from scaling and reptations to protein folding and evolution. The new edition includes an extended section on polymer preparation methods, discusses knots formed by molecular filaments, and presents new and updated materials on such contemporary topics as single molecule experiments with DNA or polymer properties of proteins and their roles in biological evolution.
Download or read book Molecular Driving Forces written by Ken Dill and published by Garland Science. This book was released on 2010-10-21 with total page 1026 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.
Download or read book Computer Methods Part C written by and published by Academic Press. This book was released on 2010-12-24 with total page 701 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of faster, more advanced computers and more quantitatively oriented biomedical researchers has recently yielded new and more precise methods for the analysis of biomedical data. These better analyses have enhanced the conclusions that can be drawn from biomedical data, and they have changed the way that experiments are designed and performed. This volume, along with the 2 previous Computer Methods volumes for the Methods in Enzymology serial, aims to inform biomedical researchers about recent applications of modern data analysis and simulation methods as applied to biomedical research. - Presents step-by-step computer methods and discusses the techniques in detail to enable their implementation in solving a wide range of problems - Informs biomedical researchers of the modern data analysis methods that have developed alongside computer hardware - Presents methods at the "nuts and bolts" level to identify and resolve a problem and analyze what the results mean
Download or read book Encyclopedia of Surface and Colloid Science 2004 Update Supplement written by P. Somasundaran and published by CRC Press. This book was released on 2014-05-08 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt: Appending the Encyclopedia of Surface and Colloid Science by 42 entries as well as 3800 new citations, 1012 equations, and 485 illustrations and chemical structures, this important supplement summarizes a constellation of new theoretical and experimental findings related to chemical characterization, mechanisms, interfacial behavior, methods and mo
Download or read book Macromolecules in Solution and Brownian Relativity written by Stefano Antonio Mezzasalma and published by Academic Press. This book was released on 2008-07-22 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: Macromolecules in Solution and Brownian Relativity illustrates the recent picture of statistical physics of polymers and polymer solutions that emerges from some paradigms of contemporary science joint together. Among its principal aims are discussing the consequences of a novel self-diffusion theory, which benefits from an extension towards relativistic-like principles, and the generalization of usual concepts met in polymer science in terms of geometry alone. The monograph gives the whole fundamentals necessary to handle the view proposed, which is set in the final chapters. All the formers see about to provide the reader with a comprehensive treatation of the necessary fundamentals of classical, relativistic, quantum and statistical mechanics. Among the most important mechanical theories ever developed, a chapter on the Brownian movement and another on macromolecules prepare the ground that is specific to face universality and scaling behaviors in polymer solutions. The scope of the book is therefore two-fold: On the one hand, it wishes to involve the readers and scholars into a new research on polymer physics and chemistry. On the other, to get close chemical physicists and physical chemists to disciplines which, traditionally, are far from their direct fields of interest. - Cross-disciplinarity - Novelty - Potentiality
Download or read book Properties and Behavior of Polymers 2 Volume Set written by Wiley and published by John Wiley & Sons. This book was released on 2012-12-03 with total page 1605 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book provides comprehensive, up-to-date information on the physical properties of polymers including, viscoelasticity, flammability, miscibility, optical properties, surface properties and more. Containing carefully selected reprints from the Wiley's renowned Encyclopedia of Polymer Science and Technology, this reference features the same breadth and quality of coverage and clarity of presentation found in the original.
Download or read book The Polysiloxanes written by James E. Mark and published by Oxford University Press. This book was released on 2015-03-11 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polysiloxanes are the most studied inorganic and semi-inorganic polymers because of their many medical and commercial uses. The Si-O backbone endows polysiloxanes with intriguing properties: the strength of the Si-O bond imparts considerable thermal stability, and the nature of the bonding imparts low surface free energy. Prostheses, artificial organs, objects for facial reconstruction, vitreous substitutes in the eyes, and tubing take advantage of the stability and pliability of polysiloxanes. Artificial skin, contact lenses, and drug delivery systems utilize their high permeability. Such biomedical applications have led to biocompatibility studies on the interactions of polysiloxanes with proteins, and there has been interest in modifying these materials to improve their suitability for general biomedical application. Polysiloxanes examines novel aspects of polysiloxane science and engineering, including properties, work in progress, and important unsolved problems. The volume, with ten comprehensive chapters, examines the history, preparation and analysis, synthesis, characterization, and applications of these polymeric materials.
Download or read book Molecular Characterization of Polymers written by Muhammad Imran Malik and published by Elsevier. This book was released on 2021-03-09 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Characterization of Polymers presents a range of advanced and cutting-edge methods for the characterization of polymers at the molecular level, guiding the reader through theory, fundamentals, instrumentation, and applications, and supporting the end goal of efficient material selection and improved material performance. Each chapter focuses on a specific technique or family of techniques, including the different areas of chromatography, field flow fractionation, long chain branching, static and dynamic light scattering, mass spectrometry, NMR, X-Ray and neutron scattering, polymer dilute solution viscometry, microscopy, and vibrational spectroscopy. In each case, in-depth coverage explains how to successfully implement and utilize the technique. This practical resource is highly valuable to researchers and advanced students in polymer science, materials science, and engineering, and to those from other disciplines and industries who are unfamiliar with polymer characterization techniques. - Introduces a range of advanced characterization methods, covering aspects such as molecular weight, polydispersity, branching, composition, and tacticity - Enables the reader to understand and to compare the available technique, and implement the selected technique(s), with a view to improving properties of the polymeric material - Establishes a strong link between basic principles, characterization techniques, and real-life applications
Download or read book Advanced Computer Simulation Approaches for Soft Matter Sciences I written by Christian Holm and published by Springer Science & Business Media. This book was released on 2005-02-14 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids up to complex macromolecular assemblies, covering sizes from the nanoscale up the microscale. Computer simulations have proven as an indispensable, if not the most powerful, tool to understand properties of these materials and link theoretical models to experiments. In this first volume of a small series recognized leaders of the field review advanced topics and provide critical insight into the state-of-the-art methods and scientific questions of this lively domain of soft condensed matter research.
Download or read book Large Molecules written by Springer and published by . This book was released on 2014-01-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Physics written by Philipp Scherer and published by Springer Science & Business Media. This book was released on 2013-07-17 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. The first part of the book discusses the basic numerical methods. The second part concentrates on simulation of classical and quantum systems. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multi-step methods and the class of Verlet methods, which is introduced by studying the motion in Liouville space. A general chapter on the numerical treatment of differential equations provides methods of finite differences, finite volumes, finite elements and boundary elements together with spectral methods and weighted residual based methods. The book gives simple but non trivial examples from a broad range of physical topics trying to give the reader insight into not only the numerical treatment but also simulated problems. Different methods are compared with regard to their stability and efficiency. The exercises in the book are realised as computer experiments.
Download or read book Synthesis and Characterizations of Poly organophosphazenes written by Roger De Jaeger and published by Nova Publishers. This book was released on 2004 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gleria (materials science, Padova University, Italy) and De Jaeger (chemistry, University of Sciences and Technologies, France) present the latest work in the synthesis and characterization of poly(organophosphazenes). The book opens with a general introduction on background, developments, and future perspectives, then covers the synthetic aspects of phosphazene polymers, with chapters on areas such as ambient temperature cationic condensation synthesis of polyphosphazenes and high molecular weight polyspirophosphazenes. Chapters on the characterization of phosphazene polymers in solution explore topics including thermal and mechanical properties of polyphosphazenes and electrochemical behavior of phosphazenes. Annotation : 2004 Book News, Inc., Portland, OR (booknews.com).
