2007 Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulation I

Presentations

12:30 PM

(592a) Molecular Simulations of Polycyclic Aromatic Compounds
Carlos Nieto-Draghi, Benoit Creton, Antony Bocahut, Theodorus De Bruin, Veronique Lachet

12:50 PM

(592b) Understanding the Relationship between Molecular Architecture and Thermophysical and Rheological Properties of Perfluoropolyethers
Bangwu Jiang, Jamie L. Adcock, Nathan J. Crawford, Alviony F. Pangloli, Brian J. Edwards, William V. Steele, David J. Keffer, Jared Fern

01:10 PM

(592c) Modeling Permeability Of Water And Chemical Agents In Sulfonated Triblock Copolymers
Jan Andzelm, James Sloan, Eugene Napadensky, Dawn Crawford, Margaret Hurley

01:30 PM

(592d) Molecule Relaxation And Viscosity In Model Asphalt Mixture Systems
Liqun Zhang

01:50 PM

(592e) Enthalpy/entropy Effects In The Self-Assembly Of Nanoparticle Complex Systems: A Multiscale Molecular Modeling (M3) Approach
Maurizio Fermeglia, Sabrina Pricl

02:10 PM

(592f) Construction and Study of Porous Polymer Media for Ion-Exchange Adsorption by Molecular Dynamics
Enrico Riccardi, Athanasios I. Liapis

02:30 PM

(592g) Using Elementary Reactions To Model Growth Processes Of Polyaromatic Hydrocarbons Under Pyrolysis Conditions Of Light Feedstocks
Karen Hemelsoet, Veronique Van Speybroeck, Michel Waroquier