Modeling and prediction of polymer nanocomposite properties
[Book]
edited by Vikas Mittal.
Weinheim
Wiley-VCH, [
2013]
xvi, 298 pages : illustrations ; 25 cm.
Polymer nano-, micro- & macrocomposites, v. 4.
Convergence of Experimental and Modeling Studies / Vikas Mittal --; Self-Consistent Field Theory Modeling of Polymer Nanocomposites / Valeriy V Ginzburg --; Modern Experimental and Theoretical Analysis Methods of Particulate-Filled Nanocomposites Structure / Georgii V Kozlov, Yurii G Yanovskii, Gennadii E Zaikov --; Reptation Model for the Dynamics and Rheology of Particle Reinforced Polymer Chains / Kalonji K Kabanemi, Jean-Francois Hetu --; Multiscale Modeling Approach for Polymeric Nanocomposites / Paola Posocco, Sabrina Pricl, Maurizio Fermeglia --; Modeling of Oxygen Permeation and Mechanical Properties of Polypropylene-Layered Silicate Nanocomposites Using DoE Designs / Vikas Mittal --; Multiscale Stochastic Finite Elements Modeling of Polymer Nanocomposites / Antonios Kontsos, Jefferson A Cuadra --; Modeling of Thermal Conductivity of Polymer Nanocomposites / Wei Lin --; Numerical-Analytical Model for Nanotube-Reinforced Nanocomposites / Antonio Pantano --; Dissipative Particles Dynamics Model for Polymer Nanocomposites / Shin-Pon Ju, Yao-Chun Wang, Wen-Jay Lee --; Computer-Aided Product Design of Wheat Straw Polypropylene Composites / Rois Fatoni, Ali Almansoori, Ali Elkamel, Leonardo Simon --; Modeling of the Chemorheological Behavior of Thermosetting Polymer Nanocomposites / Luigi Torre, Debora Puglia, Antonio Iannoni, Andrea Terenzi.
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 prop.