| Thursday, 3 November 2005: 3:15 PM-5:45 PM | |||
| 263 (Cincinnati Convention Center) | |||
Computational Molecular Science and Engineering Forum (21) | |||
| #544 - Industrial Applications of Computational Chemistry and Molecular Simulations II (21016) | |||
| Expansion session. | |||
| CoChair: | Clare McCabe | ||
| Chair: | Phillip R. Westmoreland | ||
| 3:15 PM | Introductory Remarks | ||
| 3:20 PM | 544a | Comparing Model Asphalt Systems Using Molecular Simulation Liqun Zhang, Michael L. Greenfield | |
| 3:40 PM | 544b | The Molecular Modeling and Design of High Performance Biodegradable Lubricants Mary J. Biddy, Michael J. Tupy, Juan J. de Pablo | |
| 4:00 PM | 544c | Design of New Lubricant Formulations through Mechanistic Modeling Jim Pfaendtner, Q. Jane Wang, Linda Broadbelt | |
| 4:20 PM | Break | ||
| 4:25 PM | 544d | Solubilities of Phenol and Dihydroxybenzenes in Water and Water/Ethanol
Mixtures Using Monte Carlo Simulations Divesh Bhatt, J. Ilja Siepmann | |
| 4:45 PM | 544e | Phase Equilibria and Transport in Carbon Dioxide Expanded Solvents Brian B. Laird, Yao A Houndonougbo, Jianxin Guo, Gerry Lushington, Krzysztof Kuczera | |
| 5:05 PM | 544f | Multilevel Modeling of Complex Systems Steen Christensen, Jens Abildskov, Günther Peters, Flemming Yssing Hansen | |
| 5:25 PM | 544g | Generalized Uniquac-Qspr Model for Vapor-Liquid Equilibria Prediction of Binary Mixtures Devipriya Ravindranath, Srinivasa S. Godavarthy, Rob L. Robinson Jr., Khaled A. M. Gasem | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
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