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Experimental study and comprehensive kinetic modeling of the direct dimethyl ether synthesis on Cu/ZnO/ZrO₂ and H-FER-20

Rodrigues Niquini, Gabriela 1; Lacerda de Oliveira Campos, Bruno ORCID iD icon 1; Herrera Delgado, Karla ORCID iD icon 1; Pitter, Stephan ORCID iD icon 1; Sauer, Jörg ORCID iD icon 1
1 Institut für Katalyseforschung und -technologie (IKFT), Karlsruher Institut für Technologie (KIT)

Abstract:

In the direct dimethyl ether (DME) synthesis, the combination of Cu/ZnO/ZrO2 (CZZ) and H-FER-20 (FER) has shown high selectivity and productivity for a broad range of CO2/COX ratio. Aiming to understand the behavior of the studied catalyst system under distinct operating conditions, we developed a new 9-parameter kinetic model. The parameters were estimated based on 815 steady-state experiments carried out at several values of pressure (30–54 bar), temperature (190–250 ℃), space-velocity (0.79–4.34 s−1) and inlet gas composition. This broad database was used in the development and validation of a new 9-parameter kinetic model for the direct DME synthesis. The model adequately simulates experiments in several process conditions, with 95% of the simulated points presenting a deviation lower than 20% with respect to the experimental results for outlet DME molar percentage. In addition, it correctly predicts the trends with respect to variations in H2 inlet fraction, which is of high relevance for processes using fluctuating renewable power sources for H2 production. In comparison to state-of-the-art models with more parameters, the new model is significantly more accurate. ... mehr


Verlagsausgabe §
DOI: 10.5445/IR/1000168952
Veröffentlicht am 29.02.2024
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Katalyseforschung und -technologie (IKFT)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 01.2024
Sprache Englisch
Identifikator ISSN: 1385-8947
KITopen-ID: 1000168952
HGF-Programm 38.03.02 (POF IV, LK 01) Power-based Fuels and Chemicals
Erschienen in Chemical Engineering Journal
Verlag Elsevier
Band 480
Seiten Art.-Nr.: 147968
Nachgewiesen in Web of Science
Dimensions
Scopus
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