523200 Improved Directional Hydrogen Bonding Interactions for the COSMO-SAC Model for Prediction of Activity Coefficients

Chun-Kai Chang1, Wei-Lin Chen2, David T. Wu3 and Shiang-Tai Lin1, (1)Department of Chemical Engineering, National Taiwan University, Taipei, Taiwan, (2)Technology Platform Dept., Daxin Materials Corporation, Taichung, Taiwan, (3)Department of Chemistry and Department of Chemical and Biological Engineering, Colorado School Of Mines, Golden, CO
See more of this Session: Recent Advances in Force Fields
See more of this Group/Topical: Engineering Sciences and Fundamentals