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Accelerating reactor development with accessible simulation and automated optimization tools
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DOI：10.1016/j.cep.2019.107582.png)
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摘要
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Methane CPDX is a common route to syngas, while monolith reactors are a common type of process intensified reactor. Given the general need in process intensified systems to extract improved performance, a proof-of-concept optimization study was conducted to maximize hydrogen productivity and minimize peak reactor temperature for methane CPDX on a coated metallic monolith reactor. In this study, DAKOTA (optimization toolkit), DETCHEM (TM) (surface reaction and thermodynamics toolkit), and OpenFOAM (multiphysics simulation software) are newly integrated to optimize non-linear reactive configurations. Using an automated derivative-free multi-objective optimization method, the hydrogen productivity per volume (kg H-2/m(3)/s) can be substantially increased while concurrently reducing the peak reaction temperature. Specifically, by allowing the coupled simulation framework to change the distribution and amount of catalyst, along with channel diameter, feed flow rate and inlet temperature, hydrogen productivity can be increased up to 1.8 times over previous literature values with a reduction in peak metal temperature of about 40 degrees C, or increased by about 1.6 times with a reduction in peak reactor metal temperature of about 120 degrees C, from a previously reported 818 degrees C down to below 700 degrees C. The presented results demonstrate the potential for design optimization in reactive systems in general, and in particular for process intensified components.
Keyword:
CFD
DAKOTA
DUO
OpenFOAM
DETCHEM
Methane CPDX
Optimization
Monolith catalyst
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