Modeling and Prediction of Polymer Nanocomposite Properties

The book series 'Polymer Nano-, Micro- and Macrocomposites' provides complete and comprehensive information on all important
aspects of polymer composite research and development, including, but not limited to synthesis, filler modification, modeling,
characterization as well as application and commercialization issues. Each book focuses on a particular topic and gives a balanced in-depth overview of the respective subfi eld of polymer composite science and its relation to industrial applications. With the books the readers obtain dedicated resources with information relevant to their research, thereby helping to save time and money.

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.

Autorentext

Vikas Mittal is an Assistant Professor at the Chemical Engineering Department of The Petroleum Institute, Abu Dhabi. He obtained his PhD in 2006 in Polymer and Materials Engineering from the Swiss Federal Institute of Technology in Zurich, Switzerland. Later, he worked as Materials Scientist in the Active and Intelligent Coatings section of SunChemical in London, UK and as Polymer Engineer at BASF Polymer Research in Ludwigshafen, Germany. His research interests include polymer nano-composites, novel filler surface modifications, thermal stability enhancements, polymer latexes with functionalized surfaces etc. He has authored over 40 scientific publications, book chapters and patents on these subjects.

Inhalt

1. Convergence of Modeling and Experimental Studies
   
   2. Micro-mechanical Models for Property Prediction
   3. Prediction of Properties by Composite Theories
   4. Finite-Element Models for Barrier Properties of Composites
   5. Elastic Properties of Composites Predicted by Finite-Element Methods
   6. Factorial Designs for the Barrier and Mechanical Properties of Nanocomposites
   7. Mixture Design Tools for the Property Prediction
   8. Molecular Dynamics Studies of the Filler Surface and Understanding Organic-Inorganic Interface
   9. Selfconsistent Field Models for Properties of Nanocomposites
   10. Future Design of Nanocomposite Materials