- 4:00 PM

User Controlled Kinetic Network Generation with Ingen

Craig A. Bennett, School of Engineering, Rutgers, The State University of New Jersey, 98 Brett Road, Piscataway, NJ 08854, Zhen Hou, Department of Biochemical and Chemical engineering, School of Engineering, Rutgers, the State University of New Jersey, School of Engineering, D115, 98 Brett Road, Piscataway, NJ 08854, and Michael T. Klein, Chemical and Biochemical Engineering, Rutgers University, 98 Brett Road, School of Engineering, Piscataway, NJ 08854.

Greater competition for dwindling conventional energy resources has driven the need for more efficient upgrading and conversion processes where the selectivity to desirable species is paramount. Meanwhile, governmental regulation has increased the accountability of companies with regard to environmentally harmful by-product species. To this end, molecule-based kinetic models are being used both in the selection of feeds and in the management of their conversion to valuable end products. Such molecule-based models can be especially tedious to build “by hand” for complex feeds, which has motivated the development of automated model building tools. Reaction network generators such as NetGen were limited in scope to specific chemistries and allowed only expert programmers to change the specific rules that govern the network generation. A new tool, INGen (Interactive Network Generator), bridges the gap between modeler and programmer, allowing chemical process experts the ease of creating, changing, and adapting their own kinetic networks.