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Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl...
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Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl Ether

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Catalytic Materials".

Deadline for manuscript submissions: closed (15 March 2024) | Viewed by 14922

Special Issue Editors

Dr. Enrico Catizzone

E-Mail Website
Guest Editor
Department of Environmental Engineering, University of Calabria, Rende, Italy
Interests: heterogeneous catalysis; biomass valorization; CO2 hydrogenation; methanol-to-hydrocarbons process; zeolites; kinetic modeling
Special Issues, Collections and Topics in MDPI journals
Dr. Ana Palčić

E-Mail Website
Guest Editor
Ruđer Bošković Institute, Division of Materials Chemistry, Laboratory for Synthesis of New Materials, Bijenička Cesta 54, Zagreb, Croatia
Interests: zeolites; catalysis; low-carbon processes; methanol-to-olefins processes

Special Issue Information

Dear Colleagues,

Over the last few decades, an increasing interest from both academia and industry has been devoted to the development of new chemical and technological strategies for the efficient introduction of renewable energy in the value chain of chemical industry. In fact, the post-COVID pandemic policies are pushing towards a further increase in renewables utilization. In particular, the utilization of renewables for the production of chemicals represents a key strategy for a sustainable energetic transition. In this regard, methanol and/or dimethyl ether may be considered as valuable molecules for the production of several high-added-value products, such as olefins, gasoline, or other chemicals, or used as circular hydrogen carrier.

This Special Issue aims to collect original research papers, reviews, or short communication in the field of the synthesis of methanol/dimethyl ether from renewables and the conversion of methanol/dimethyl ether towards high-added-value molecules. In particular, studies on the effect of catalyst features on kinetic and catalytic behavior at both lab-scale and pilot-scale are welcomed. 

Dr. Enrico Catizzone
Dr. Ana Palčić
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2200 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • methanol
  • dimethyl ether
  • zeolites
  • catalysis
  • kinetics
  • biomass
  • renewables

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Published Papers (4 papers)

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Research

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15 pages, 1706 KiB  
Article
Kinetic Modeling of the Direct Dimethyl Ether (DME) Synthesis over Hybrid Multi-Site Catalysts
by Antonio D’Ambrosio, Alice Bertino, Serena Todaro, Mariarita Santoro, Catia Cannilla, Francesco Frusteri, Giuseppe Bonura, Leone Mazzeo and Vincenzo Piemonte
Catalysts 2024, 14(1), 61; https://doi.org/10.3390/catal14010061 - 13 Jan 2024
Cited by 2 | Viewed by 2537
Abstract
This paper deals with the proposition of a kinetic model for the direct synthesis of DME via CO2 hydrogenation in view of the necessary optimization of the catalytic system, reactor design, and process strategy. Despite the fact that DME synthesis is typically [...] Read more.
This paper deals with the proposition of a kinetic model for the direct synthesis of DME via CO2 hydrogenation in view of the necessary optimization of the catalytic system, reactor design, and process strategy. Despite the fact that DME synthesis is typically treated as a mere combination of two separated catalytic steps (i.e., methanol synthesis and methanol dehydration), the model analysis is now proposed by taking into account the improvements related to the process running over a hybrid catalyst in a rational integration of the two catalytic steps, with boundary conditions properly assumed from the thermodynamics of direct DME synthesis. Specifically, the CO2 activation step at the metal–oxide interface in the presence of ZrO2 has been described for the first time through the introduction of an ad hoc mechanism based on solid assumptions from inherent studies in the literature. The kinetic modeling was investigated in a tubular fixed-bed reactor operating from 200 to 260 °C between 1 and 50 bar as a function of a gas hourly space velocity ranging from 2500 to 60,000 NL/kgcat/h, in a stoichiometric CO2/H2 feed mixture of 1:3 v/v. A well-detailed elementary mechanism was used to predict the CO2 conversion rate and identify the key reaction pathways, starting with the analysis of the implicated reactions and corresponding kinetic mechanisms and expressions, and finally estimating the main parameters based on an appropriate modeling of test conditions. Full article
(This article belongs to the Special Issue Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl Ether)
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10 pages, 1493 KiB  
Communication
Sodium Methoxide Catalysed One-Pot Glycidol Synthesis via Trans-Esterification between Glycerol and Dimethyl Carbonate
by Elrasheed Elhaj, Huajun Wang, Enaam A. Al-Harthi, Waseem A. Wani, Sahar Sallam, Nasser Zouli and Mohd Imran
Catalysts 2023, 13(5), 809; https://doi.org/10.3390/catal13050809 - 27 Apr 2023
Cited by 2 | Viewed by 3912
Abstract
In this work we demonstrate one-pot glycidol synthesis, via trans-esterification between glycerol and dimethyl carbonate, by making use of commercially available sodium methoxide as a catalyst. An excellent glycerol conversion (99%) and remarkable glycidol yield (75%) was obtained using dimethyl carbonate/glycerol (molar ratio [...] Read more.
In this work we demonstrate one-pot glycidol synthesis, via trans-esterification between glycerol and dimethyl carbonate, by making use of commercially available sodium methoxide as a catalyst. An excellent glycerol conversion (99%) and remarkable glycidol yield (75%) was obtained using dimethyl carbonate/glycerol (molar ratio 2:1) in the presence of 3 wt% catalyst amount (with respect to glycerol weight) at 85 °C for a reaction time of 120 min. Sodium methoxide was recycled and reused twice with only a slight decrease in glycerol conversion. The water content of the glycerol reached 2.5 wt%; this did not reduce the glycerol conversion efficiency of the catalyst. A plausible mechanism for the trans-esterification involved in the preparation of glycidol was proposed. Full article
(This article belongs to the Special Issue Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl Ether)
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24 pages, 1272 KiB  
Article
Kinetics of the Direct DME Synthesis: State of the Art and Comprehensive Comparison of Semi-Mechanistic, Data-Based and Hybrid Modeling Approaches
by Nirvana Delgado Otalvaro, Pembe Gül Bilir, Karla Herrera Delgado, Stephan Pitter and Jörg Sauer
Catalysts 2022, 12(3), 347; https://doi.org/10.3390/catal12030347 - 18 Mar 2022
Cited by 5 | Viewed by 3499
Abstract
Hybrid kinetic models represent a promising alternative to describe and evaluate the effect of multiple variables in the performance of complex chemical processes, since they combine system knowledge and extrapolability of the (semi-)mechanistic models in a wide range of reaction conditions with the [...] Read more.
Hybrid kinetic models represent a promising alternative to describe and evaluate the effect of multiple variables in the performance of complex chemical processes, since they combine system knowledge and extrapolability of the (semi-)mechanistic models in a wide range of reaction conditions with the adaptability and fast convergence of data-based approaches (e.g., artificial neural networks—ANNs). For the first time, a hybrid kinetic model for the direct DME synthesis was developed consisting of a reactor model, i.e., balance equations, and an ANN for the reaction kinetics. The accuracy, computational time, interpolation and extrapolation ability of the new hybrid model were compared to those of a lumped and a data-based model with the same validity range, using both simulations and experiments. The convergence of parameter estimation and simulations with the hybrid model is much faster than with the lumped model, and the predictions show a greater degree of accuracy within the models’ validity range. A satisfactory dimension and range extrapolation was reached when the extrapolated variable was included in the knowledge module of the model. This feature is particularly dependent on the network architecture and phenomena covered by the underlying model, and less on the experimental conditions evaluated during model development. Full article
(This article belongs to the Special Issue Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl Ether)
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Review

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20 pages, 3955 KiB  
Review
Perspective on CO2 Hydrogenation for Dimethyl Ether Economy
by Chang Liu and Zhongwen Liu
Catalysts 2022, 12(11), 1375; https://doi.org/10.3390/catal12111375 - 6 Nov 2022
Cited by 13 | Viewed by 3804
Abstract
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 [...] Read more.
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. Full article
(This article belongs to the Special Issue Advances in Catalytic Synthesis and Conversion of Methanol and Dimethyl Ether)
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