Modeling and Prediction of Polymer Nanocomposite Properties
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This book lays the theoretical foundations and emphasizes the close connection between theory and experiment to optimize models and real-life procedures for the various stages of polymer composite development. As such, it covers quantum-mechanical approaches to understand the chemical processes on an atomistic level, molecular mechanics simulations to predict the filler surface dynamics, finite element methods to investigate the macro-mechanical behavior, and thermodynamic models to assess the temperature stability. The whole is rounded off by a look at multiscale models that can simulate properties at various length and time scales in one go -- and with predictive accuracy.Content: Chapter 1 Convergence of Experimental and Modeling Studies (pages 1–10): Dr. Vikas MittalChapter 2 Self?Consistent Field Theory Modeling of Polymer Nanocomposites (pages 11–37): Valeriy V. GinzburgChapter 3 Modern Experimental and Theoretical Analysis Methods of Particulate?Filled Nanocomposites Structure (pages 39–62): Georgii V. Kozlov, Yurii G. Yanovskii and Gennadii E. ZaikovChapter 4 Reptation Model for the Dynamics and Rheology of Particle Reinforced Polymer Chains (pages 63–94): Kalonji K. Kabanemi and Jean?Francois HetuChapter 5 Multiscale Modeling Approach for Polymeric Nanocomposites (pages 95–128): Paola Posocco, Sabrina Pricl and Maurizio FermegliaChapter 6 Modeling of Oxygen Permeation and Mechanical Properties of Polypropylene?Layered Silicate Nanocomposites Using DoE Designs (pages 129–142): Dr. Vikas MittalChapter 7 Multiscale Stochastic Finite Elements Modeling of Polymer Nanocomposites (pages 143–168): Antonios Kontsos and Jefferson A. CuadraChapter 8 Modeling of Thermal Conductivity of Polymer Nanocomposites (pages 169–200): Wei LinChapter 9 Numerical–Analytical Model for Nanotube?Reinforced Nanocomposites (pages 201–214): Antonio PantanoChapter 10 Dissipative Particles Dynamics Model for Polymer Nanocomposites (pages 215–235): Shin?Pon Ju, Yao?Chun Wang and Wen?Jay LeeChapter 11 Computer?Aided Product Design of Wheat Straw Polypropylene Composites (pages 237–253): Rois Fatoni, Ali Almansoori, Ali Elkamel and Leonardo SimonChapter 12 Modeling of the Chemorheological Behavior of Thermosetting Polymer Nanocomposites (pages 255–287): Luigi Torre, Debora Puglia, Antonio Iannoni and Andrea Terenzi
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