2020 Virtual AIChE Annual Meeting

Session: Thermodynamics Needs for Chemical Reactions and Catalysis

Chair

Gupta, S., The Dow Chemical Company

Co-Chair

Elliott, J. R., The University of Akron

Presentations

08:00 AM

(747a) State-of-the-Art in Process Enthalpy and Free Energy Calculations
Singh, A., Berger, M., Molnar, M., Gupta, S., Dutta, S., Drake, B., Bellair, R., Vickery, D.

08:15 AM

(747b) Calculation of Heat of Reaction and Chemical Equilibrium in Chemical Process Simulations and Need for Physical Properties
Wang, S., Anavi, S.

08:30 AM

(747d) Computational Considerations in Catalysis: From Regioselectivity to Metal-Ligand Dissociation
Wilson, A.

08:45 AM

(747e) The Use of Modern AB Initio Methods for Evaluation of Formation Enthalpies of Heteroatomic Organic Compounds
Paulechka, E., Kazakov, A.

09:00 AM

(747f) Thermodynamic Studies of Enzyme-Catalyzed Reactions
Goldberg, R., Elliott, J. R.