Modeling / simulation of polymers

Polymers are now a major materials used in many industrial applications. The prediction of their behavior depends on our understanding of these complex happens in all experimental sciences, our understanding of  complex physical phenomena requires modeling  the system by focusing on only those aspects that are supposedly relevant to the observed behavior. Once a suitable model has been identified we have to validate it by solving it and comparing its predictions with experiments. Solving the model usually requires approximations. The resulting solutions are known as theories under those approximations. This is also true for polymers whose behavior can be complex. After 70 years of research and development Polymer Science and engineering has reached a high level of sophistication. Applications of modern computational tools and methods and modeling  and theories of observed behavior made it possible to solve, thereby understand many basic and applied problems and along with that helped to resolve some fundamental problems in polymer physics, physicochemistry and polymer mechanics. Polymer processing is defined as the engineering activity concerned with operations carried out on polymeric materials or systems to increase their utility [1]. Primarily, it deals with the conversion of raw polymeric materials into finished products, involving not only shaping but also compounding and chemical reactions leading to macromolecular modifications and morphology stabilization, and thus to value added structures.

  • Polymer synthesis and characterization
  • Fusion of materials and computational sciences
  • Materials theory, modeling and computer simulation
  • Molecular modeling technologies
  • Polymerization and Polymer Processing

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