Kinetic modelling of the methanol synthesis from CO2 and H2 over a CuO/CeO2/ZrO2 catalyst: The role of CO2 and CO hydrogenation

Poto, Serena; Berkel, Damian Vico van; Gallucci, Fausto; d’Angelo, M.F. Neira

doi:10.1016/j.cej.2022.134946

Cited by 48 publications

(18 citation statements)

References 67 publications

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“…Subsequently, the formed CO could be transferred to the Cu + species and be further hydrogenated to methanol. Their results indicated that both the CO2-to-methanol and RWGS reactions were catalyzed by the Cu 0 species, and this is also confirmed by Kunkes et al [86] Moreover, Poto et al [87] reported that the reaction conditions could affect the reaction mechanism. Particularly, the mechanism via CO* was more favorable with high reaction temperature and high H2/CO2 ratio.…”

Section: Reaction Mechanismmentioning

confidence: 57%

Perspective on CO2 Hydrogenation for Dimethyl Ether Economy

Liu

2022

Catalysts

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The CO2 hydrogenation to dimethyl ether (DME) is a potentially promising process for efficiently utilizing CO2 as a renewable and cheap carbon resource. Currently, the one-step heterogeneous catalytic conversion of CO2 to value-added chemicals exhibits higher efficiency than photocatalytic or electrocatalytic routes. However, typical catalysts for the one-step CO2 hydrogenation to DME still suffer from the deficient space–time yield and stability in industrial demonstrations/applications. In this perspective, the recent development of the one-step CO2 hydrogenation to DME is focused on different catalytic systems by examining the reported experimental results and the reaction mechanism including the catalytic nature of active sites, activation modes and of CO2 molecules under relevant conditions; surface intermediates are comparatively analyzed and discussed. In addition to the more traditional Cu-based, Pd-based, and oxide-derived bifunctional catalysts, a further emphasis is given to the characteristics of the recently emerged In2O3-based bifunctional catalysts for the one-step conversion of CO2 to DME. Moreover, GaN itself, as a bifunctional catalyst, shows over 90% DME selectivity and a reasonably high activity for one-step CO2 hydrogenation, and the direct hydrogenation of CO2 via the unique non-methanol intermediate mechanism is highlighted as an important illustration for exploring new catalytic systems. With these analyses and current understandings, the research directions in the aspects of catalysis and DME economy are suggested for the further development of one-step DME synthesis from CO2 hydrogenation.

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Section: Reaction Mechanismmentioning

confidence: 57%

Perspective on CO2 Hydrogenation for Dimethyl Ether Economy

Liu

2022

Catalysts

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“…Although there was good agreement with their experiments, the authors emphasized that more studies were required [6] . Similarly, kinetic models have been widely implemented for studying other chemical processes [7–10] …”

Section: Introductionmentioning

confidence: 89%

Analysis of the Applications of Particle Swarm Optimization and Genetic Algorithms on Reaction Kinetics: A Prospective Study for Advanced Oxidation Processes

et al. 2022

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A bibliometric analysis of the Scopus database was implemented to assess the spread of two types of evolutionary algorithms (EAs), genetic algorithms (GA) and particle swarm optimization (PSO), on the study of reaction kinetics. Particular attention was given to applications for advanced oxidation processes (AOPs). The collaborations between countries and authors, as well as the keywords co‐occurrences, were investigated. Finally, the Gompertz and Logistic Substitution models (LSM) were employed to forecast future scenarios. It was observed that GA methods were the preferred algorithms for reaction kinetic studies, and the USA was the most influential country in terms of collaboration, followed by China. On the other hand, there was still poor collaboration for most countries; this was also observed for authors’ collaboration. In addition, literature concerning AOPs was still scarce. The forecasting suggested growth for implementing evolutionary algorithms, especially for the PSO, increasing its popularity regarding GA methods.

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“…80 In fact, even when processing a pure feed mixture of H 2 /CO 2 , there is no consensus in the scientific community regarding the main pathway towards methanol, as it seems that CO production can occur in the catalyst bed and be found in the outlet gas. 93 Thus, in practical plants, it is sensible to assume that CO 2 direct hydrogenation (R1) will have some local competition with the RWGS (R2) and CO hydrogenation (R3), which will be heavily influenced by the catalyst characteristics, such as available active sites. 30,80 The CO present in the outlet gas can be recycled back to the reactor inlet, consequently improving the synthesis efficiency, and this needs to be optimized according to the desired feed stoichiometric ratios.…”

Section: E-methanol From Co 2 Capture and Transformation (P1)mentioning

confidence: 99%