2007 Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulation I

Presentations

12:30 PM

(592a) Molecular Simulations of Polycyclic Aromatic Compounds
Nieto-Draghi, C., Creton, B., Bocahut, A., De Bruin, T., Lachet, V.

12:50 PM

(592b) Understanding the Relationship between Molecular Architecture and Thermophysical and Rheological Properties of Perfluoropolyethers
Jiang, B., Adcock, J. L., Crawford, N. J., Pangloli, A. F., Edwards, B. J., Steele, W. V., Keffer, D. J., Fern, J.

01:10 PM

(592c) Modeling Permeability Of Water And Chemical Agents In Sulfonated Triblock Copolymers
Andzelm, J., Sloan, J., Napadensky, E., Crawford, D., Hurley, M.

01:30 PM

(592d) Molecule Relaxation And Viscosity In Model Asphalt Mixture Systems
Zhang, L.

01:50 PM

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

02:10 PM

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

02:30 PM

(592g) Using Elementary Reactions To Model Growth Processes Of Polyaromatic Hydrocarbons Under Pyrolysis Conditions Of Light Feedstocks
Hemelsoet, K., Van Speybroeck, V., Waroquier, M.