(263f) A CAPE-OPEN Unit Operation Software Component for Solving Chemkin Reactor Networks Inside Process Modeling Simulations

We present a CAPE-OPEN Unit Operation software component that enables CHEMKIN Reactor Networks to be used in CAPE-OPEN Simulator Environments, such as AspenPLUS. Networks consist of clusters of perfectly stirred reactors and/or plug-flow reactors and are solved in a sequential-modular fashion, with tearing for re-cycle connections between clusters.

Since the CAPE-OPEN component is based on the industryleading CHEMKIN technology, this enables much more detailed kinetics and reactor models to be used within the simulation of flowsheets of process modeling applications. This provides much more accurate predictions of the products of the reactions than would be otherwise possible for process modeling via  highly accurate detailed mechanisms that have been created within the combustion industry over many years of research and validated against experimental data. We present the results of applying this component to the modeling of a goal gasification process, where we solve a reduced order model of a computational fluid dynamics model inside AspenPLUS