2014 AIChE Annual Meeting

Session: Product and Molecular Design

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.

Chair

Zoltan K. Nagy, Purdue University

Co-Chair

Dimitrios Gerogiorgis, University of Edinburgh

Presentations

12:30 PM

(524a) The Virtual Product-Process Design Lab
Georgios Kontogeorgis, Sawitree Kalakul, Rafiqul Gani

12:52 PM

(524b) Oscillatory Amplitudes Regulation Method in 1,3-PD Production By Klebsiella Pneumoniae
Hangzhou Wang, Bingzhen Chen, Jinsong Zhao, Tong Qiu

01:14 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, George Jackson

01:36 PM

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

01:58 PM

(524e) An Application of Computer-Aided Molecular Design (CAMD) Using the Signature Molecular Descriptor: Designing New Water-Reducing Admixtures for Cement through Cement Paste Rheology Evaluation
Hamed Kayello, Donald Visco, Joseph Biernacki

02:20 PM

(524f) Graph Based Database Development for Gasoil Reactive Systems
Charles C. Solvason, Jorge M. Martinis

02:42 PM

(524g) Determining Optimal Groups for Group Contribution Methods
Nick Austin, Nick Sahinidis, Daniel W. Trahan