The kineticist's workbench: Qualitative/quantitative simulation of chemical reaction mechanisms

✍ Scribed by Michael Eisenberg

• Book ID: 103977786
• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 1009 KB
• Volume: 3
• Category: Article
• ISSN: 0957-4174
• DOI: 10.1016/0957-4174(91)90059-n

✦ Synopsis

Almtract--The Kineticist's Workbench is a program combining symbolic and numerical techniques, and intended to assist chemists in simulating, understanding, and analyzing chemical reaction mechanisms. This paper describes the three modor modules that currently comprise the Workbench: a numerical simulation module; a graphical analysis module that uses mechanism structure to make predictions about behavior; and a qualitative analysis module that interprets the numerical results of simulation and produces qualitative descriptions of those results.