(663d) Application of the Trappe Force Field to the Prediction of Solubility Parameters and Miscibilities

This presentation will assess the accuracy of the TraPPE (transferable potentials for phase equilibria) force field for the prediction of solubility parameters for a wide range of organic solvents as function of temperature. Comparisons will be made to predictions based on other force fields and to experimental data. Furthermore, results for the relative miscibilities of monomers and oligomers in siloxane/urea polymer blends will be presented.