2013 AIChE Annual Meeting

Session: Designing Products and Molecules

Designing a new chemical product or moelcule is a complex process requiring many tools to assist in the innovation, evaluation and management of a novel concept. This session welcomes papers discussing experiences in product and moelcular design

Chair

Nishanth G. Chemmangattuvalappil, University of Nottingham - Malaysia

Co-Chair

Kyle Camarda, University of Kansas

Presentations

08:30 AM

(419a) Application of Quantum-Based Descriptors to the Molecular Design of Ionic Liquids
Qi Chen, Aaron Scurto, Kyle Camarda

08:52 AM

(419b) Use of Water-Oil-Surfactant System Phase Behavior Data/Model for Emulsion-Based Chemical Product Design
Michele Mattei, Georgios Kontogeorgis, Rafiqul Gani

09:14 AM

(419c) QM - Camd: Advances in Computer-Aided Molecular Design of Solvents for Reactions
Eirini Siougkrou, Amparo Galindo, Claire S. Adjiman

09:36 AM

(419d) Automated Selection of Products and Chemistry in Biomass Conversion Through Network Generation and Optimization
W. Alex Marvin, Srinivas Rangarajan, Prodromos Daoutidis

09:58 AM

(419e) Utilization of Multi-Dimensional Characterization in Virtual High-Throughput Screening
Mario Eden, Robert Herring

10:20 AM

(419f) Generation of Candidate Reactant Structures Using Signature Descriptors
Vikrant Dev, Nishanth G. Chemmangattuvalappil, Mario Eden

10:42 AM

(419g) New Perspectives On the Integration of Environmental Impacts Within a Molecular Design Framework
Amirhossein Mehrkesh, Arunprakash T. Karunanithi