2016 AIChE Annual Meeting

Session: Molecular Modeling of Industrially Relevant Interfacial Phenomena

TBD

Chair

Shah, J. K., Oklahoma State University

Co-Chairs

Moore, J., The Dow Chemical Company

Presentations

08:30 AM

(649a) Computational Study on the Thermal Degradation Mechanism and Gas Adsorption Properties of Mesoporous Silica MCM-41 after High Temperature Treatment
Zhang, S., Faller, R., Stroeve, P., Castro, R.

08:45 AM

(649b) Methane-Hydrate Nucleation in Marine Environments: Insights from Molecular-Dynamics Strategies Exploring Free-Energy Landscapes
English, N., Lauricella, M., Meloni, S., Succi, S.

09:00 AM

(649c) Molecular Simulations of Wet Flue Gas Adsorption on 13X Zeolite
Purdue, M., Qiao, Z., Jiang, J., Farooq, S.

09:30 AM

(649e) Exploring the Boundaries of Gas Adsorption Via Randomly Generated Porous Materials
Wilmer, C. E., Kaija, A. R.

09:45 AM

(649f) Interfacial Tension from Simulation and Theory
Mu, X., N. Asthagiri, D., Chapman, W.

10:00 AM

(649g) Gas-Liquid Chromatography Column Selection By Molecular Simulation
Chen, Q., Siepmann, J.

10:15 AM

(649h) Towards the Development of Single Atom Alloy Catalysts As a Means of Escaping Linear Scaling Relations
Darby, M., Sykes, E. C., Michaelides, A., Stamatakis, M.

10:30 AM

(649i) Theory of Split Quantum Dot Formation in Strained-Layer Semiconductor Heteroepitaxy
Du, L., Maroudas, D.

10:45 AM

(649j) The Effect of Select Organic Compounds on Hydration of Portland Cement: Experimental and Molecular Dynamics Study
Chaudhari, O., Biernacki, J., Northrup, S.