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Publications
Proceedings
CCPS 17th Annual International Conference and Workshop Risk, Reliability, and Security
General Submissions
TECHNICAL PAPERS
Selective Catalytic Reduction (SCR) System Design and Operations: Quantitative Risk Analysis of Options
2009 Annual Meeting
Session: Computational Catalysis I: Methodology
Chair
Kitchin, J. R.
, Carnegie Mellon University
Presentations
08:30 AM
(18a) A First-Principles Approach for Predicting the Rate Coefficient for n-Alkane Cracking in Zeolites
08:50 AM
(18b) Intrinsic and Apparent Kinetics for the Alkylation of Benzene Over H-ZSM-5 – A Multiscale Investigation From the Molecular Level to the Reactor
09:10 AM
(18c) A New Solid State Table for Predicting Coverage Dependent Adsorption Energies On Transition Metal Surfaces
09:30 AM
(18d) First-Principles Investigation of Alkali Promotion Mechanism in Oxidation Reactions Over Ag(111) Surfaces
09:50 AM
(18e) Kinetic Monte Carlo Simulation of Surface Segregation in Platinum-Based Alloys Under O2 Adsorption and Reaction
10:10 AM
(18f) Periodic DFT Study of the Effect of Uniform Electric Field On Chemisorption of Molecules On Pt(111) Surface
10:30 AM
(18g) Statistics of Adsorption Sites During Oxygen Adsorption On Pt(111)
