Friday, November 17, 2006: 8:30 AM-11:00 AM | |||
Union Square 15 & 16 (Hilton San Francisco) | |||
#636 - Multiscale Modeling II (21007) | |||
Papers are sollicited on novel computational and theoretical methods, as well as applications of methods to bridge length and/or time scales in all areas of chemical engineering, including thermodynamics, catalysis and reaction engineering, separation processes, material properties, etc... | |||
Chair: | Marc-Olivier Coppens | ||
CoChair: | Cameron F. Abrams | ||
8:30 AM | 636a | Multiscale Simulations of Ortho-Terphenyl in Bulk and Freestanding Films Jayeeta Ghosh, Roland Faller | |
8:48 AM | 636b | Determination of the Onset of Structural Transitions in Condensed Matter through Coarse Molecular Dynamics Miguel A. Amat, Yannis G. Kevrekidis, Dimitrios Maroudas | |
9:06 AM | 636c | The Properties of Asymmetric Binary Lennard-Jones Mixtures Using Coarse-Grained Two-Body Effective Potentials Timothy I. Morrow, Keith E. Gubbins | |
9:24 AM | 636d | Coarse-Grained Lattice Kinetic Monte Carlo Simulations of Defect Aggregation in Crystalline Silicon Jianguo Dai, Warren D. Seider, Talid R. Sinno | |
9:42 AM | 636e | Mesoscale Simulations of Hydrated Nafion Membranes Aleksey Vishnyakov, Alexander V. Neimark | |
10:00 AM | 636f | Calculation of Local Pressure Tensors in Systems with Many-Body Interactions Hendrik Heinz, Wolfgang Paul, Kurt Binder | |
10:18 AM | 636g | Multiscale Simulation of Self-Assembly of Nanoparticles in Diblock Copolymers Maurizio Fermeglia, Sabrina Pricl | |
10:36 AM | 636h | Integrated Process and Product Analysis for Automotive Paint Spray: a Multiscale Approach Jia Li, Jie Xiao, Yinlun Huang, Helen H. Lou |
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