Last edited by Kazigami
Sunday, August 9, 2020 | History

8 edition of Simulation methods for polymers found in the catalog.

Simulation methods for polymers

  • 102 Want to read
  • 17 Currently reading

Published by Marcel Dekker in New York .
Written in English

    Subjects:
  • Polymers.,
  • Polymers -- Simulation methods.

  • Edition Notes

    Includes bibliographical references and index.

    Statementedited by Michael Kotelyanskii, Doros N. Theodorou.
    ContributionsKotelyanskii, Michael., Theodorou, Doros Nicolas.
    Classifications
    LC ClassificationsQD381 .S557 2004
    The Physical Object
    Paginationxv, 602 p. :
    Number of Pages602
    ID Numbers
    Open LibraryOL3326580M
    ISBN 100824702476
    LC Control Number2004300458
    OCLC/WorldCa55065532

    "The original edition had, as does the new fourth edition, detailed methods for many polymerisation reactions using all types of polymerisation conditions. Polymer Synthesis: Theory and Practice can be a useful and comprehensive book for finding starting-point experimental conditions for most polymerisations. Multiscale Simulation Methods for Polymers: Language: English: Abstract: Computer simulations of condensed phases and biochemical systems have lead to profound new insight into molecular-scale phenomena occurring in these complex systems. Many processes that occur in liquids, soft materials, and biochemical systems however occur over length and.

    Molecular simulation methods for predicting polymer properties. [Vassilios Galiatsatos;] -- "Molecular Simulation Methods for Predicting Polymer Properties brings readers up to speed on the most effective modeling techniques for matching polymer structure to physical property. The book is arranged not by methods, as are most books on this. We present the first Monte Carlo simulation method for determining the force between two surfaces due to the interaction of end‐grafted polymers. The method is an elaboration of recently devised techniques for measuring the pressure by introducing hard or repulsive walls. The approach is applied to the usual self‐avoiding‐walk lattice model, as well as to the fluctuating .

    polymers. Apart from increased sophistication in methods of measuring molec-ular weight, such as the cryoscopic and vapour pressure methods, almost the whole range of the spectrum has been called into service to elucidate polymer structure. Ultraviolet and visible spectroscopy, infrared spectroscopy, Raman. molecular dynamics calculations are performed as well to study properties of polymers. The dissertation is organized as follows. Chapter 1 gives a review of multiscale simulation methods that have been used to study polymers and a short overview of the different topics discussed in this dissertation.


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Simulation methods for polymers Download PDF EPUB FB2

[U]seful to anyone who needs to understand structure-property relationships in polymer systems." - IEEE Electrical Insulation Magazine, Vol. 21, No. 3, May/June "[This book] is a high quality concept book that can be used as Simulation methods for polymers book textbook for students and researchers interested in theory and computer simulation of polymers.

Configurational Bias Techniques for Simulation of Complex Fluids V: Charged Polymer Systems 8. Molecular Simulations of Charged Polymers VI: Calculating Chemical Potential and Free-Energy, Phase Equilibria 9. Gibbs Ensemble and Histogram Reweighting Grand Canonical Monte Carlo Methods Gibbs Ensemble Molecular Dynamics VII: Polymer Crystals   Edited by an acknowledged leader in the field, Molecular Simulation Methods for Predicting Polymer Properties brings readers up to speed on the most effective modeling techniques for matching polymer structure to physical property.

Abstract Simulation Methods for Polymers is the only comprehensive source to delineate the technical steps and efficacy of contemporary polymer simulation methods using. DOI link for Simulation Methods for Polymers.

Simulation Methods for Polymers book. Simulation Methods for Polymers. DOI link for Simulation Methods for Polymers. Simulation Methods for Polymers book. Edited By Michael Kotelyanskii, Doros N. Theodorou. Edition 1st Edition. First Published Author: Michael Kotelyanskii, Doros N.

Theodorou. (PDF) Molecular Dynamics Simulations of Polymers”, Chapter in Book “Simulation Methods for Polymers”, Edited by M.J. Kotelyanskii and D.N. Theodorou, Marcel Dekker, New York, | Vagelis Harmandaris - is a platform for academics to share research papers.

Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals.

The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists. Journals & Books; Help Computer simulation techniques such as Monte Carlo methods, molecular mechanics and molecular dynamics are reviewed.

POLYMER SCIENCE Volume 7 Number 1 Computer simulation of polymers: T. Madkour and A. Barakat Table 2 Predicted relative probabilities for pentads for various feed compositions in the cis. Molecular simulation methods constitute a reliable tool for the prediction of molecular structure and the understanding of the mechanisms and phenomena at the atomistic level that determine the macroscopic properties of polymers.

Molecular dynamics (MD) and Monte Carlo (MC) are two such methods that can provide accurate predictions of the. One may choose to complement a polymer simulation with one of the many theoretical methods used for polymer studies, such as classical density functional theory or DFT, self-consistent field theory or SCFT, polymer reference interaction site model or PRISM,(,) statistical associating fluid theory or SAFT, and others.

Production of synthetic polymers is a significant part of chemical industry. Modeling and simulation of polymer production processes can crucially affect their economy and ecology.

This chapter focuses on the polymerization step, which is considered as the most important step in terms of economic viability of polymer production. Polymer Models on the Lattice \/ K. Binder, J. Baschnagel and M. Muller -- 5. Simulations on the Completely Occupied Lattice \/ Tadeusz Pakula -- 6.

Molecular Dynamics Simulations of Polymers \/ Vagelis A. Harmandaris and Vlasis G. Mavrantzas -- 7.

Configurational Bias Techniques for Simulation of Complex Fluids \/ T. Jain and J. de Pablo. Polymers, an international, peer-reviewed Open Access journal.

Title / Keyword. Author / Affiliation. Polymer Science. This book explains the following topics: Polymers and the Environment, Emulsion Polymerization, Polymer Science Approach to Physico-Chemical Characterization and Processing of Pulse Seeds, Polymer Characterization with the Atomic Force Microscope, Nonconventional Method of Polymer Patterning, The Properties and Application of Carbon.

Modeling and Simulation in Polymer Reaction Engineering: A Modular Approach | Wiley Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others.

Polymer Science and Innovative Applications: Materials, Techniques, and Future Developments introduces the science of innovative polymers and composites, their analysis via experimental techniques and simulation, and their utilization in a variety of application areas. This approach helps to unlock the potential of new materials for product design and other uses.

Such complicated network polymers are clearly beyond the capability of classical quantum chemistry or the reactive force field methods. Normal simulations can only be limited to polymers with well-defined structures, and new methods for the generation of random network polymer structures are necessary.

Simulation Methods for Polymers [Book Review] Article in IEEE Electrical Insulation Magazine 21(3) 61 June with 5 Reads How we measure 'reads'.

This book addresses traditional polymer processing as well as the emerging technologies associated with the plastics industry in the 21st century and combines engineering modeling aspects with computer simulation of realistic polymer processes. This book provides a polymer processing background to engineering students and practicing engineers.

Polymers occur in many different states and their physical properties are strongly correlated with their conformations. The theoretical investigation of the conformational properties of polymers is a.

Although the tube models have attained remarkable success, development of a simulation method for entangled branch polymer dynamics is still a challenge.

In this study, the multichain slip-spring model has been examined to branch polymers for the first time. In the model, the bead–spring chains are dispersed in the simulation box, and the entanglement is .Polymer vane extruder is a new type of extrusion machine, whose plasticating and conveying method is based on elongational rheology.

The vane extruder has many advantages over conventional plasticating method, such as shortening thermo-mechanical experience of plasticating and conveying, reducing the energy consumption of plasticating and conveying.

in Eq. () and reinterpretV as solvent molecule]. However, while for polymer mixtures in the state of dense melts incompressibility is often a reasonablefirst approximation, for polymer solutions in some cases such an assumption is inadequate, for example, if one uses supercritical carbon dioxide as a solvent for the polymers [7, 14].