Optimization of the direct synthesis of dimethyl ether from CO2 rich synthesis gas: closing the loop between experimental investigations and model-based reactor design

Delgado Otalvaro N, Kaiser M, Delgado KH, Wild S, Sauer J, Freund H (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Reaction Chemistry & Engineering Royal Society of Chemistry

Book Volume: 5

Pages Range: 949-960

Journal Issue: 5

DOI: 10.1039/d0re00041h

Abstract

Reaction kinetic modeling, model-based optimization and experimental validation are performed for the direct synthesis of dimethyl ether from CO2 rich synthesis gas. Among these disciplines, experimental methods and models are aligned in a stringent way of action, i.e., the same setup and models are applied throughout the whole contribution. First, a lumped reaction kinetic model from the literature is modified and parametrized to fit a vast array of 240 data points measured in a laboratory fixed bed reactor. The data were acquired using a mechanical mixture of the commercial catalysts CuO/ZnO/Al2O3 and gamma-Al2O3. For this setup, a predictive model is derived and applied within dynamic model-based optimization. Here, the single-pass COx conversion serves as objective function while the operating conditions and composition of the mixed catalyst bed are the optimization variables. Finally, the optimization results obtained numerically are validated experimentally verifying the identified performance enhancement qualitatively. The remaining quantitative deviations yield valuable insights into model and methodological weaknesses or inaccuracies, closing the loop between kinetic investigations, model-based optimization and experimental validation.

Authors with CRIS profile

Nirvana Delgado Otalvaro Lehrstuhl für Chemische Reaktionstechnik Markus Kaiser Lehrstuhl für Chemische Reaktionstechnik Hannsjörg Freund Professur für Katalytische Reaktoren und Prozesstechnik

Involved external institutions

Karlsruhe Institute of Technology (KIT) DE Germany (DE)

How to cite

APA:

Delgado Otalvaro, N., Kaiser, M., Delgado, K.H., Wild, S., Sauer, J., & Freund, H. (2020). Optimization of the direct synthesis of dimethyl ether from CO2 rich synthesis gas: closing the loop between experimental investigations and model-based reactor design. Reaction Chemistry & Engineering, 5(5), 949-960. https://dx.doi.org/10.1039/d0re00041h

MLA:

Delgado Otalvaro, Nirvana, et al. "Optimization of the direct synthesis of dimethyl ether from CO2 rich synthesis gas: closing the loop between experimental investigations and model-based reactor design." Reaction Chemistry & Engineering 5.5 (2020): 949-960.

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