Publication Type Journal Article
Title From catalyst to process: bridging the scales in modeling the OCM reaction
Authors Laura Pirro Pedro S. F. Mendes Bram Kemseke Bart D. Vandegehuchte Guy B. Marin Joris W. Thybaut
Groups Chem4Env
Journal CATALYSIS TODAY
Year 2021
Month
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Volume 365
Number 0
Pages 35-45
Abstract Process simulations for catalyzed reactions generally do not incorporate model equations based on the fundamentals of catalyst and reactor configuration. Yet, doing so could significantly enhance the reliability of predictions and designs. An easy-to-use solution to integrate catalyst-dependent kinetics into industrially-relevant reactor models within the environment of a process simulator is proposed and illustrated step-by-step for the Oxidative Coupling of Methane (OCM). A multi-stage adiabatic configuration with intermediate cooling and distributed oxygen feed is selected as case study. Results for three different OCM catalysts (Sn-Li/MgO, NaMnW/ SiO2, Sr/La2O3) revealed that a multi-stage configuration can be beneficial in terms of methane conversion and C2+ yield compared to a single stage. Remarkably, the addition of multiple stages led to more significant increases in yield for the more active but less selective Sr/La2O3 catalyst. For this catalyst, the impact of oxygen feed in the successive stages on the C2+ selectivity was found negligible. This was rationalized via a microkinetic contribution analysis of the prevailing oxidation routes, i.e. of methane (primary) and ethylene (consecutive). This case study highlights the importance of catalyst-tailored process evaluations of different scenarios for the industrial implementation of a complex chemical reaction such as OCM.
DOI http://dx.doi.org/10.1016/j.cattod.2020.06.084
ISBN
Publisher
Book Title
ISSN 0920-5861
EISSN 1873-4308
Conference Name
Bibtex ID WOS:000637774600004
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