2005 Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulations II

Co-Chair

Clare McCabe, Vanderbilt University

Presentations

03:15 PM

Introductory Remarks

03:20 PM

(544a) Comparing Model Asphalt Systems Using Molecular Simulation
Liqun Zhang

03:40 PM

(544b) The Molecular Modeling and Design of High Performance Biodegradable Lubricants
Mary J. Biddy, Juan J. De Pablo

04:00 PM

(544c) Design of New Lubricant Formulations through Mechanistic Modeling
Jim Pfaendtner, Q. Jane Wang, Linda Broadbelt

04:25 PM

(544d) Solubilities of Phenol and Dihydroxybenzenes in Water and Water/Ethanol Mixtures Using Monte Carlo Simulations
Divesh Bhatt

04:45 PM

(544e) Phase Equilibria and Transport in Carbon Dioxide Expanded Solvents
Brian B. Laird, Yao A. Houndonougbo, Jianxin Guo, Gerry Lushington, Krzysztof Kuczera

05:05 PM

(544f) Multilevel Modeling of Complex Systems
Steen Christensen, Günther Peters, Flemming Yssing Hansen

05:25 PM

(544g) Generalized Uniquac-Qspr Model for Vapor-Liquid Equilibria Prediction of Binary Mixtures
Srinivasa S. Godavarthy, K. A. M. Gasem, Devipriya Ravindranath, Robert L. Robinson