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Computers and Chemical Engineering 28 (2004) 21412155 "Store and retrieve" representations of dynamic systems motivated

Summary: Computers and Chemical Engineering 28 (2004) 21412155
"Store and retrieve" representations of dynamic systems motivated
by studies in gas phase chemical kinetics
Ioannis P. Androulakis
Complex Systems Modeling, Corporate Strategic Research, ExxonMobil Research and Engineering, 1545 Route 22 East, Annandale, NJ 08801, USA
Received 25 August 2003; received in revised form 16 February 2004; accepted 18 February 2004
Available online 18 May 2004
This paper explores the advantages and highlights the potential limitations of using off line information to generate approximations of
dynamic systems. The procedure is presented in the context of existing approaches motivated by studies in chemical kinetics. Store and
retrieve approaches utilize previously generated information about the kinetic evolution of the reaction system in order to build implicit
approximations. The unstructured data reside in memory and computational algorithms, detecting nearest neighbors, are used to define a
region around a novel query point. The properties of the query point are determined by linear regression of the stored information. The
examples we considered are designed to address the merits of the approach as well as the fundamental issues that warrant further research.
2004 Elsevier Ltd. All rights reserved.
Keywords: Store and retrieve; Dynamic systems; Gas phase chemical kinetics
1. Introduction
The potential of computer-aided tools for the generation of
large detailed kinetic mechanisms has been receiving, over
the years, increasing attention. Advances in our fundamen-


Source: Androulakis, Ioannis (Yannis) - Biomedical Engineering Department & Department of Chemical and Biochemical Engineering, Rutgers University


Collections: Engineering; Biology and Medicine