2012 AIChE Annual Meeting

Session: Recent Advances in Molecular Simulation Methods I

Co-Chair

Cameron F. Abrams, Drexel University

Presentations

08:30 AM

(51a) Theoretical Calculating the Thermodynamic Properties of Solid Sorbents for CO2 Capture Applications

08:48 AM

(51b) Nonmonotonic Dependence of the Absolute Entropy On Temperature in Supercooled Stillinger-Weber Silicon

09:06 AM

(51c) Molecular Characterization of the Interactions of Growth Modifiers with Zeolite Surfaces

09:24 AM

(51d) Efficient Monte Carlo Algorithms for Simulation of Crystalline Solids

09:42 AM

(51e) GPU Accelerated Configurational Bias Monte Carlo Simulations of Linear Alkanes
Jason R. Mick, Vincent Russo, Eyad Hailat, Kamel Ibrahem, Loren Schwiebert, Jeffrey Potoff

10:00 AM

(51f) Estimating Physicochemical Properties of Amino Acid Side Chain Analogs Using Expanded Ensemble Molecular Simulation Algorithm: An Assessment of Force Fields
Alauddin Ahmed

10:18 AM

(51g) Generating, Simulating, and Synthesizing Novel Materials for Gas Storage & Separations
Christopher Wilmer, Ki Chul Kim