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Molecular Simulation Methods for Predicting Polymer Properties

polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems;

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Mechanics of Particle and FiberReinforced Polymer Nanocomposites

, highly practical resource: Explains the molecular dynamics (MD) simulation procedure for nanofiber and nanoparticle reinforced polymer;

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Computer Simulation of Polymers

background knowledge of synthetic polymer properties and simulation.;

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Prediction of Polymer Properties

Highlighting a broad range multiscale modeling and methods for anticipating the morphologies and the properties of interfaces and;

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Molecular Simulation Studies in Material & Biological Sciences

areas, molecular simulation provides a set of tools for predicting many functional properties of molecular systems. The chemical, pharmaceutical;

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Computational Materials & Biological Sciences

In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for;

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An Introduction to Molecular Dynamics Simulation of Polymer Composites

This book will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. In this book;

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Clay-Polymer Nanocomposites

of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting;

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Polymer Thermodynamics

* Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions, by K. Binder, B. Mognetti, W. Paul;

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Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also;

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Developments in Polymer Characterisation-1

in order to determine molecular weight and size. The discoveries of stereoregular polymers and polymer crystals created the need for new and;

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Molecular Structure

, computational, pharmaceutical/medicinal, and polymer chemists with a strong understanding of the structure and properties of organic molecules by;

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Functional Polymer Blends

toughened polymethyl methacrylate (PMMA) blends Provides theoretical insights through molecular dynamics simulation studies for binary blend;

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Structure and Properties of Polymers

of polymers. Many methods characterizing the structure, measuring molecular motion, and determining different properties, molecular weight and;

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A Practical Introduction to the Simulation of Molecular Systems

pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on;

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Structure and Rheology of Molten Polymers

summary of state-of-art methods for measuring rheological properties and relating them to molecular structure.;

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Molecular Dynamics of Nanobiostructures

use of computer molecular simulation methods. Today, molecular simulation is one of the basic instruments in exploring the properties of nano;

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Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used;

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Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used;

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Molecular Simulation Studies on Thermophysical Properties

to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and;

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Molecular Simulation in Material & Biological Research

-molecular protein simulation including: Protein modelling; Drug design; Simulation of liquids; Liquid crystals, polymer systems; Simulation;

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Characterization of Polymers

Polymers are organic, often complex molecular compounds used as the building blocks for plastics, elastomers and various types of synthetic;

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Advanced Materials, Polymers, and Composites

of physical and mechanical properties of these new materials. Kinetics and simulation are discussed and also considered as promising techniques for;

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Encyclopedia of Polymer Science & Technology

This title contains a 3-volume set. Polymers are materials composed of long molecular chains that are well-accepted for a wide variety;

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Polymer Structure Characterization

properties of organic materials. It provides complimentary material for a range of courses in materials science, molecular chemistry and chemical;

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Polymer Morphology

With a focus on structure-property relationships, this book describes how polymer morphology affects properties and how scientists can;

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Advances in Nanotechnology

environmental risk; the polymer filling process in nanoimprint lithography performed by molecular dynamics simulation; the optical properties and sizes;

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