2012 AIChE Annual Meeting

Session: Multiscale Modeling I

Chair

Marc-Olivier Coppens, Rensselaer Polytechnic Institute

Presentations

08:30 AM

(228a) Solvation Structure of Ions in Model Disordered Carbon Electrodes
Jeremy C. Palmer, Keith E. Gubbins

08:50 AM

(228b) Catalytic Partial Oxidation of Methane On Platinum Investigated by Spatial Reactor Profiles, Spatially Resolved Spectroscopy, and Microkinetic Modeling
Oliver Korup, Claude Franklin Goldsmith, Gisela Weinberg, Michael Geske, Timur Kandemir, Robert Schlögl, Raimund Horn

09:10 AM

(228c) Multiscale Modeling of the Shock Compression of Energetic Materials Using Constant Energy Dissipative Particle Dynamics
Joshua D. Moore

09:30 AM

(228d) Efficient Catalyst-to-Reactor Methodologies for Novel Chemical Reactor Design and Scale-up
Zbigniew Urban

09:50 AM

(228e) Reaction-Diffusion Model of Multi-Component Parallel Reaction in Methanol Synthesis Catalyst and Optimization of the Size of Catalyst Particle
Hui Han, Haitao Zhang, Dingye Fang, Weiyong Ying

10:10 AM

(228f) A Multi-Scale Framework for CFD Modeling of Multi-Phase Complex Systems Based On the EMMS Approach

10:30 AM

(228g) CFD Analysis of the Effect of Baffles On the Fluid Flow and Heat Transfer Inside the Shell of Cross-Flow Fixed Bed Reactor
Minhua Zhang, Yingzhe Yu, Lu Bai, Xiuqin Dong