Computational Chemistry in Chemical Engineering:
1995 AIChE Annual Meeting

Discussion on Computational Chemistry and Its Industrial Applications

Wed., Nov. 15, 1995; 5-7 p.m., Suite 16G, Fontainebleau Hotel

Contacts: Ken Cox (Shell Research - Westhollow, cox@shell.com)
Phil Westmoreland (University of Massachusetts Amherst)

1995 Programming

At the 1995 Meeting, there were six sessions of particular relevance to this research/applications community, sponsored by various programming groups within AIChE:

Applications of Quantum Mechanics and Field Theory in ChE
Arup K. Chakraborty (U. California, Berkeley, arup@templeton.cchem.berkeley.edu) and Zhen-Gang Wang (Caltech, zgw@cheme.caltech.edu"), organizers
Session 53 (Group 1a, Thermodynamics and Transport)
Tuesday, 8:30-11:40 a.m.; Ballroom B (Fountainebleau)

Molecular Theory of Adsorption Equilibria and Dynamics
James A. O'Brien (Yale, james.obrien@yale.edu) and Julian Talbot (Purdue, talbot@ecn.purdue.edu), organizers
Session 7 (Area 2e, Adsorption and Ion Exchange)
Tuesday, 2-5 pm; Grand Ballroom (Eden Roc)

Thermodynamic Properties and Phase Behavior: Computer Simulation
Eduardo Glandt (U. Pennsylvania) and Juan J. de Pablo (U. Wisconsin - Madison, depablo@engr.wisc.edu), organizers
Sessions 55 and 56 (Area 1a, Thermodynamics and Transport)
Wednesday, 8:30-11:40 a.m. and 2-5 p.m.; Ballroom B (Fountainebleau)

Applying Computational Chemistry to Materials Engineering
Michael R. Zachariah (NIST, mrz@tiber.nist.gov) and Phil Westmoreland (U. Massachusetts Amherst, westm@ecs.umass.edu), organizers
Session 167 (8d, Ceramics, and 8e, Electronics and Photonic Materials)
Thursday, 2-5 p.m.; Ballroom B (Fountainebleau)

Applications of Quantum Chemistry and Molecular Simulation in Heterogeneous Catalysis
Matthew Neurock (U. Virginia, mn4n@virginia.edu) and Alexis Bell (U. California, Berkeley, bell@cchem.berkeley.edu), organizers
Session 86 (Area 1b, Kinetics, Catalysis, and Reaction Engineering)
Friday, 8:30-11:40 a.m.; Ballroom B (Fountainebleau)

1996 Programming

At the November 1996 AIChE Annual Meeting in Chicago, we will hold a second mini-symposium on this topic, as was held at the 1994 San Francisco meeting. A plenary session will feature five invited industrial speakers, and a poster/demo session will offer contributions from industry, academia, and government.

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Last update: December 4, 1995.
Contact westm@ecs.umass.edu for corrections or inquiries.