| Thursday, 3 November 2005: 8:00 AM-10:30 AM | |||
| 201 (Cincinnati Convention Center) | |||
Computational Molecular Science and Engineering Forum (21) | |||
| #455 - Computation and Theory of Phase Equilibria (21017) | |||
| This session describes work dealing with theory, modeling, and/or simulation of phase equilibria. Both method- and application-oriented contributions are of interest. All types of phase equilibria -- involving liquids, solids, or other phases, as well as critical phenomena -- may be considered. | |||
| CoChair: | Monica H. Lamm | ||
| Chair: | David A. Kofke | ||
| 8:00 AM | 455a | Phase Transitions and Criticality in Small Nanoscale Systems Alexander V. Neimark, A. Vishnyakov | |
| 8:18 AM | 455b | Finite-Size Scaling Monte Carlo Simulations of Tricritical Behavior Gerassimos Orkoulas | |
| 8:36 AM | 455c | Thermodynamics of Symmetric Dimers: Lattice Dft Predictions and Simulations Yiming Chen, G.L. Aranovich, M.D. Donohue | |
| 8:54 AM | 455d | Development and Application of Mayer Sampling Methods for the Evaluation of Cluster Integrals Andrew J. Schultz, David A. Kofke | |
| 9:12 AM | 455e | Studying Thermophysical Properties with Molecular Dynamics Jared T. Fern, David J. Keffer, William V. Steele | |
| 9:30 AM | 455f | Determination of Interfacial Tension in Binary Mixtures Using Transition-Matrix Monte Carlo Vincent K. Shen, Jeffrey R. Errington | |
| 9:48 AM | 455g | Modeling Co2 Solubility in Ionic Liquids Using Semi-Grand Ensemble Hybrid Monte Carlo Haizhong Zhang, Edward J. Maginn | |
| 10:06 AM | 455h | Force Field Parameterization and Calculation of Phase Equilibria for Organic Nitro Compounds David Rigby, Rajesh Khare | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
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