2006 AIChE Annual Meeting

Session: Graduate Student Award Poster Session

Posters, presented by graduate students alone, are invited to showcase novel research accomplishments in computational science and engineering relevant to any CoMSEF-orented area. These posters will be automatically considered for inaugural CoMSEF graduate student awards. The awards will be made on the basis of the quality of the content and presentation of the research shown in the poster and on the ability of the graduate student presenter to answer questions about the results.

Chair

Clancy, P., Cornell University

Co-Chair

Snurr, R. Q., Northwestern University

Presentations

(159k) Effect of Confinement on Chemical Reactions

(159c) First Principles, Experiments, and Microkinetic Modeling of the Water-Gas-Shift Reaction on Pt(111)

(159g) Ab Initio and MD Studies of the Catalyst – Nafion Interfacial Region in Pem Fuel Cells

(159a) Carbon Monoxide Oxidation on Platinum Clusters Adsorbed on Pristine and Boron-Doped Carbon Supports: a Dft Investigation

(159o) Viscosity Calculation of Model Asphalt Mixture Systems

(159d) Polythiophene Forcefield Parameterization

(159m) A Multiscale Approach for Phase Behavior, Structure and Macroscopic Properties of Colloidal Suspensions in Polymeric Fluids

(159n) Force Field Development for 1,4-Dioxane and Molecular Simulation of Its Adsorption from Water

(159l) Multiscale Modeling of Polystyrene in the Solution and in the Melt

(159j) Parallel Monte Carlo Simulations through Sequential Updating Algorithms

(159h) Theoretical Study on Elementary Reactions in the Methanol-to-Olefin Process

(159f) Dft Calculations of the Atomic Layer Deposition Growth Mechanisms of High-K Gate Dielectric Oxides

(159i) Nanoscale Structures, Breaking the Limits

(159e) Dft Modeling of Electrocatalytic Reactions