2015 AIChE Annual Meeting Proceedings

Session: Accelerated Discovery and Development of Inorganic Materials

This session targets the increasing work on high-throughput computational/experimental screening, selection, evaluation, and genomics of inorganic materials.

Chair

Sankar Nair, Georgia Institute of Technology

Co-Chairs

Wei Fan, University of Massachusetts Amherst
Sunho Choi, Northeastern University

Presentations

08:30 AM

(260a) Discovery of Optimal Zeolites and Metal-Organic Frameworks for Challenging Separations and Chemical Conversions through Predictive Materials Modeling
J. Ilja Siepmann, Peng Bai, Emmanuel Haldoupis, Konstantinos D. Vogiatzis, Michael W. Deem, Michael Tsapatsis, Laura Gagliardi

08:55 AM

(260b) Study of the Self-Assembly Process of Microporous Materials Using Molecular Modeling
Mohammad Navaid Khan, Scott M. Auerbach, Peter A. Monson

09:20 AM

(260c) First-Principles Study of Chemical Warfare Agent Decomposition on Metal-Organic Frameworks
Peilin Liao, Pritha Ghosh, Randall Snurr

09:45 AM

(260d) A Molecular Mechanics Study of the Zeolites with Uniform and Random Al Distributions
Koki Muraoka, Watcharop Chaikittisilp, Tatsuya Okubo

10:35 AM

(260f) Nano-Engineered Materials for Energy Applications
Michael Z. Hu