524 Product and Molecular Design

Wednesday, November 19, 2014: 12:30 PM
403 (Hilton Atlanta)
Designing a new chemical product or molecule 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 molecular design.

Systems and Process Design
Pharmaceutical Discovery, Development and Manufacturing Forum (26), Product Design (12G)

Zoltan K. Nagy
Email: zknagy@purdue.edu

Dimitrios I. Gerogiorgis
Email: D.Gerogiorgis@ed.ac.uk

12:30 PM
(524a) The Virtual Product-Process Design Lab
Sawitree Kalakul, Georgios Kontogeorgis and Rafiqul Gani

12:52 PM

1:14 PM
(524c) Molecular Design of Optimum CO2 Capture Solvents: From Conceptual Screening to SAFT-Based Validation
Athanasios I. Papadopoulos, Sara Badr, Alexandros Chremos, Esther Forte, Theodoros Zarogiannis, Panos Seferlis, Stavros Papadokonstantakis, Claire S. Adjiman, Amparo Galindo and George Jackson

1:36 PM
(524d) Structure Generation of Optimal Reactants and Products Using Signature Descriptors
Vikrant Dev, Nishanth G. Chemmangattuvalappil and Mario Richard Eden

2:20 PM

2:42 PM
(524g) Determining Optimal Groups for Group Contribution Methods
Nick Austin, Nick Sahinidis and Daniel W. Trahan
See more of this Group/Topical: Computing and Systems Technology Division