Session: Tools for Chemical Product Design (2012 Annual Meeting)

Description:

Designing a new chemical product 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 with using computer simulation, high throughput screening, stage-gate management and all other "tools" relevant to the design of new chemical products.

Sponsor:

Product Design

Chair:

Michael Hill
Lecturer in Chemical Engineering Design
Columbia University
Chemical Engineering
500 W 120 St.
New York, NY 10027
Email: mih16@columbia.edu

Co-Chair:

Kenneth R. Cox
Rice University
Chemical and Biomolecular Engineering Department, MS-362
6100 Main St.
Houston, TX 77005
Email: krcox@rice.edu

Papers:

176a

Molecular Design with Simultaneous Topological, Topographical, and Electrostatic Characterization
Robert Herring III, Auburn University; Subin Hada, Auburn University; J. Colin Haser, Auburn University; Nishanth G. Chemmangattuvalappil, University of Nottingham - Malaysia; Mario Richard Eden, Auburn University

176b

Amodeo: Automated Molecular Design Using Optimization
Apurva Samudra, Carnegie Mellon University; Nick Sahinidis, Carnegie Mellon University

176c

Design of an Emulsified Hand Wash Through a Systematic Model-Based Methodology
Michele Mattei, Technical University of Denmark; Michael Hill, Columbia University; Georgios Kontogeorgis, Technical University of Denmark; Rafiqul Gani, Technical University of Denmark

176d

Strategic Search for Experimental Conditions for Efficient Product Design
Takuya Kishio, The University of Tokyo; Hiromasa Kaneko, The University of Tokyo; Kimito Funatsu, The University of Tokyo

176e

Data-Driven Optimization of Product Blends Using Multivariate Property Clustering Techniques
Subin Hada, Auburn University; Robert Herring III, Auburn University; J. Colin Haser, Auburn University; Nishanth G. Chemmangattuvalappil, University of Nottingham - Malaysia; Mario Richard Eden, Auburn University

176f

Computer Aided Ionic Liquid Design (CAILD) Method for Development of Green Ionic Liquids
Amirhossein Mehrkesh, University of Colorado Denver; Arunprakash T. Karunanithi, University of Colorado Denver

See more of this Group/Topical: Process Development Division

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