Skip to main content
Toggle main menu visibility
Menu
Join
Sign In
Communities
Membership
Events
Publications
Learning & Careers
AIChE Home
About
Contact AIChE
Leadership
Events
Communities
Membership
Learning & Careers
Publications
Careers at AIChE
Equity, Diversity, Inclusion
Giving
Students
Young Professionals
Operating councils
Local Sections
Committees
Awards
Communities
Membership
Events
Publications
Learning & Careers
Toggle site search visibility
Sign In
Join
Breadcrumb
Home
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
2005 Annual Meeting
Session: Computational and Modeling Studies of Porous Materials
Chair
Thomson, K. T.
, Purdue University
Co-Chair
Potoff, J. J.
, Wayne State University
Presentations
12:30 PM
(597a) Development of Realistic Models of MCM-41 Materials for Gas Adsorption Studies
12:55 PM
(597b) Coarse-Grained Modeling of Sol-Gel Materials
01:20 PM
(597c) Modeling Porous Carbons by Reverse Monte Carlo and Simultaneous Energy Minimization
01:45 PM
(597d) Calibration of an Electronegativity Equalization Method Based on Dft Results to Evaluate the Partial Charges, Global Softness, and Local Softness of Zeolite Structures
02:10 PM
(597e) Self-Assembly of Ordered Organic-Inorganic Materials
02:35 PM
(597f) Modeling and Simulation of the Formation of Carbon Molecular Sieves by Carbon Deposition: Non-Linear Stochastic Approach
