Molecular structure design polymer property estimation

Theoretical approaches to molecular structure design require accurate estimates of physical and transport properties. These are derived commonly iiom the principles of thermodynamics and transport phenomena, and using molecular simulations. Since the literature abounds with estimation methods, reference books and handbooks are particularly useful sources. One of the most widely used. Properties of Gases and Liquids (Poling et al., 2001), provides an excellent collection of estimation methods and data for chemical mixtures in the vapor and liquid phases. For polymers. Properties of Polymers (van Krevelen, 1990) provides a collection of group-contribution methods and data for a host of polymer properties. 

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