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Catalysis for Selective Hydrogenation of CO and CO2,...
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Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Catalysis for Sustainable Energy".

Deadline for manuscript submissions: closed (31 July 2024) | Viewed by 7356

Special Issue Editor

Prof. Dr. Zhong-Wen Liu

E-Mail Website
Guest Editor
Key Laboratory of Syngas Conversion of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi'an 710119, China
Interests: heterogeneous catalysis; Fischer-Tropsch synthesis; dry reforming of methane; carbon dioxide hydrogenation; oxidative dehydrogenation of alkanes with carbon dioxide
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Special Issue Information

Dear Colleagues,

The heterogeneously catalytic hydrogenation of CO & CO2 to hydrocarbons or oxygenates is one of the most important directions in the domain of C1 chemistry & chemical engineering. In the last several decades, significant progresses have been achieved in advancing the catalysis science and promoting the development of the pertinent and related industrial processes. However, controlling the selectivity of the targeted products, e.g., different hydrocarbons or grouped hydrocarbons such as lower olefins, is still a great challenge. Moreover, the rational design and/or the precise preparation of high-performance catalysts are still important issues, which require more attention. At the same time, carbon neutrality and the potential rise of green hydrogen have led to renewed interest in the hydrogenation of CO2 as a cheap carbon source. Thus, this Special Issue of Catalysts refers to the progress and innovations in the aspects of catalyst design/development and mechanistic understandings on the selective synthesis of hydrocarbons or oxygenates. Both review and original research articles on the hydrogenation of CO & CO2 are welcomed, with topics including but not limited to the following. This Special Issue is the second edition of the successful Special Issue with the same title, https://www.mdpi.com/journal/catalysts/special_issues/6KA7Z7R72I. If you would like to submit papers to this Special Issue or have any questions, please contact the editor, Mr. Ives Liu ([email protected]).

  • Fischer-Tropsch synthesis;
  • CO and/or CO2 methanation;
  • Hydrogenation of CO and/or CO2 to olefins;
  • Hydrogenation of CO and/or CO2 to aromatics;
  • Selective synthesis of oxygenates such as DME and alcohols;
  • New tandem process coupled with the hydrogenation of CO and/or CO2.

Prof. Dr. Zhong-Wen Liu
Guest Editor

Manuscript Submission Information

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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

  • carbon monoxide
  • carbon dioxide
  • hydrogenation
  • hydrocarbons
  • oxygenates
  • heterogeneous catalysis

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Related Special Issue

Published Papers (6 papers)

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Research

12 pages, 2130 KiB  
Article
Superhydrophobic Surface Modification of a Co-Ru/SiO2 Catalyst for Enhanced Fischer-Tropsch Synthesis
by Pawarat Bootpakdeetam, Oluchukwu Virginia Igboenyesi, Brian H. Dennis and Frederick M. MacDonnell
Catalysts 2024, 14(9), 638; https://doi.org/10.3390/catal14090638 - 19 Sep 2024
Viewed by 961
Abstract
Commercial silica support pellets were impregnated and calcined to contain cobalt oxide and ruthenium oxide for Fischer-Tropsch synthesis (FTS). The precatalyst pellets were split evenly into two groups, the control precatalyst (c-precat) and silylated precatalyst (s-precat), which were treated with 1H,1H, 2H, 2H-perfluorooctyltriethoxysilane [...] Read more.
Commercial silica support pellets were impregnated and calcined to contain cobalt oxide and ruthenium oxide for Fischer-Tropsch synthesis (FTS). The precatalyst pellets were split evenly into two groups, the control precatalyst (c-precat) and silylated precatalyst (s-precat), which were treated with 1H,1H, 2H, 2H-perfluorooctyltriethoxysilane (PFOS) in toluene. The samples of powderized s-precat were superhydrophobic, as determined by the water droplet contact angle (>150°) and sliding angle (<1°). Thermal analysis revealed the PFOS groups to be thermally stable up to 400 °C and temperature programmed reduction (TPR) studies showed that H2 reduction of the cobalt oxide to cobalt was enhanced at lower temperatures relative to the untreated c-precat. The two active catalysts were examined for their FTS performance in a tubular fixed-bed reactor after in situ reduction at 400 °C for 16 h in flowing H2 to give the active catalysts c-cat and s-cat. The FTS runs were performed under identical conditions (255 °C, 2.1 MPa, H2/CO = 2.0, gas hourly space velocity (GHSV) 510 h–1) for 5 days. Each catalyst was examined in three runs (n = 3) and the mean values with error data are reported. S-cat showed a higher selectivity for C5+ products (64 vs. 54%) and lower selectivity for CH4 (11 vs. 17%), CO2 (2 % vs. 4 %), and olefins (8% vs. 15%) than c-cat. S-cat also showed higher CO conversion, at 37% compared to 26%, leading to a 64% increase in the C5+ productivity measured as g C5+ products per g catalyst per hour. An analysis of the temperature differential between the catalyst bed and external furnace temperature showed that s-cat was substantially more active (DTinitial = 29 °C) and stable over the 5-day run (DTfinal = 22 °C), whereas the attenuated activity of c-cat (DTinitial = 16 °C) decayed steadily over 3 days until it was barely active (DTfinal < 5 °C). A post-run surface analysis of s-cat revealed no change in the water contact angle or sliding angle, indicating that the FTS operation did not degrade the PFOS surface treatment. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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12 pages, 2468 KiB  
Article
Direct Spectroscopic Comparison of CO Adsorption over CuOx Prepared In Situ
by Yanmin Zhang, Yu Liu, Rui Zhao, Bin Lu, Xuan Wang and Hengshan Qiu
Catalysts 2024, 14(9), 578; https://doi.org/10.3390/catal14090578 - 30 Aug 2024
Viewed by 653
Abstract
Copper-based catalysts are widely applied in catalytic CO conversion. Despite their importance in determining catalytic performance, the interaction of CO with different copper states has often been the subject of debate. Herein, we discuss the preparation of four different CuOx states (namely, [...] Read more.
Copper-based catalysts are widely applied in catalytic CO conversion. Despite their importance in determining catalytic performance, the interaction of CO with different copper states has often been the subject of debate. Herein, we discuss the preparation of four different CuOx states (namely, fully oxidized and reduced (O-573 and R-573, respectively) and 800 and 1000 K annealed (A-800 and A-1000, respectively)) through in situ treatments, comparing CO adsorption behaviors with vacuum-transmission IR spectroscopy. CO only weakly adsorbed on the A-1000 and R-573 surfaces, whereas it led to the creation of trace amounts of surface oxygen vacancies over the O-573 surface, providing adsorption sites for the subsequent CO. Meanwhile, the produced CO2 re-adsorbed on the catalyst to form carbonate species. The reduction process was notably promoted over A-800 due to the presence of abundant surface oxygen vacancies, demonstrating the key role of Cuδ+ in oxygen vacancies, rather than merely its chemical state, in dominating the interaction of CO with CuOx. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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9 pages, 1417 KiB  
Article
In Situ XRD Study on Stability and Performance of Co3C Catalyst in Fischer–Tropsch Synthesis
by Xianfeng Shen, Xiao Han, Tianfu Zhang, Haiyun Suo, Lai Yan, Ming Qing, Yi He, Yongwang Li and Yong Yang
Catalysts 2024, 14(8), 483; https://doi.org/10.3390/catal14080483 - 28 Jul 2024
Viewed by 917
Abstract
Cobalt carbides have been recognized as an active phase for the production of light olefins and alcohols in Fischer–Tropsch synthesis. In this study, in situ X-ray diffraction experiments were performed to investigate the stability and catalytic performance over a single-phase Co3C [...] Read more.
Cobalt carbides have been recognized as an active phase for the production of light olefins and alcohols in Fischer–Tropsch synthesis. In this study, in situ X-ray diffraction experiments were performed to investigate the stability and catalytic performance over a single-phase Co3C catalyst under reaction conditions. The in situ X-ray diffraction results indicated that the Co3C phase remained stable with no significant changes until the temperature reached 300 °C. The high stability can be attributed to the twinning structure of the single-phase Co3C catalyst. The catalytic evaluation results showed that the single-phase Co3C catalyst had higher activity with high selectivity to long-chain products due to the unique surface structure of Co3C. This work provides guidance for the rational design of efficient cobalt carbide catalysts for Fischer–Tropsch synthesis reactions. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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11 pages, 2861 KiB  
Article
Theoretical Study of Reversible Hydrogenation of CO2 to Formate Catalyzed by Ru(II)–PN5P, Fe(II)–PN5P, and Mn(I)–PN5P Complexes: The Effect of the Transition Metal Center
by Lingqiang Meng, Lihua Yao and Jun Li
Catalysts 2024, 14(7), 440; https://doi.org/10.3390/catal14070440 - 9 Jul 2024
Viewed by 878
Abstract
In 2022, Beller and coworkers achieved the reversible hydrogenation of CO2 to formic acid using a Mn(I)–PN5P complex with excellent activity and reusability of the catalyst. To understand the detailed mechanism for the reversible hydrogen release–storage process, especially the effects [...] Read more.
In 2022, Beller and coworkers achieved the reversible hydrogenation of CO2 to formic acid using a Mn(I)–PN5P complex with excellent activity and reusability of the catalyst. To understand the detailed mechanism for the reversible hydrogen release–storage process, especially the effects of the transition metal center in this process, we employed DFT calculations according to which Ru(II) and Fe(II) are considered as two alternatives to the Mn(I) center. Our computational results showed that the production of formic acid from CO2 hydrogenation is not thermodynamically favorable. The reversible hydrogen release–storage process actually occurs between CO2/H2 and formate rather than formic acid. Moreover, Mn(I) might not be a unique active metal for the reversible hydrogenation of CO2 to formate; Ru(II) would be a better option. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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18 pages, 4997 KiB  
Article
A DFT Study of CO Hydrogenation on Graphene Oxide: Effects of Adding Mn on Fischer–Tropsch Synthesis
by Hanieh Bakhtiari, Saeedeh Sarabadani Tafreshi, Mostafa Torkashvand, Majid Abdouss and Nora H. de Leeuw
Catalysts 2024, 14(5), 294; https://doi.org/10.3390/catal14050294 - 28 Apr 2024
Viewed by 1679
Abstract
The hydrogenation of carbon monoxide (CO) offers a promising avenue for reducing air pollution and promoting a cleaner environment. Moreover, by using suitable catalysts, CO can be transformed into valuable hydrocarbons. In this study, we elucidate the mechanistic aspects of the catalytic conversion [...] Read more.
The hydrogenation of carbon monoxide (CO) offers a promising avenue for reducing air pollution and promoting a cleaner environment. Moreover, by using suitable catalysts, CO can be transformed into valuable hydrocarbons. In this study, we elucidate the mechanistic aspects of the catalytic conversion of CO to hydrocarbons on the surface of manganese-doped graphene oxide (Mn-doped GO), where the GO surface includes one OH group next to one Mn adatom. To gain insight into this process, we have employed calculations based on the density functional theory (DFT) to explore both the thermodynamic properties and reaction energy barriers. The Mn adatoms were found to significantly activate the catalyst surface by providing stronger adsorption geometries. Our study concentrated on two mechanisms for CO hydrogenation, resulting in either CH4 production via the reaction sequence CO → HCO → CH2O → CH2OH → CH2 → CH3 → CH4 or CH3OH formation through the CO → HCO → CH2O → CH2OH → CH3OH pathway. The results reveal that both products are likely to be formed on the Mn-doped GO surface on both thermodynamic grounds and considering the reaction energy barriers. Furthermore, the activation energies associated with each stage of the synthesis show that the conversion reactions of CH2 + OH → CH3 + O and CH2O + OH → CH2OH + O with energy barriers of 0.36 and 3.86 eV are the fastest and slowest reactions, respectively. The results also indicate that the reactions: CH2OH + OH → CH2 + O + H2O and CH2OH + OH → CH3OH + O are the most exothermic and endothermic reactions with reaction energies of −0.18 and 1.21 eV, respectively, in the catalytic pathways. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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14 pages, 5444 KiB  
Article
Developing Multifunctional Fe-Based Catalysts for the Direct Hydrogenation of CO2 in Power Plant Flue Gas to Light Olefins
by Likui Feng, Shuai Guo, Zhiyong Yu, Yijie Cheng, Julan Ming, Xiaoning Song, Qiuyang Cao, Xiaofeng Zhu, Guanghui Wang, Di Xu and Mingyue Ding
Catalysts 2024, 14(3), 204; https://doi.org/10.3390/catal14030204 - 20 Mar 2024
Cited by 1 | Viewed by 1566
Abstract
The hydrogenation of carbon dioxide (CO2) to produce light olefins is one of the most promising ways to utilize CO2 in power plant flue gas. However, the low concentration of CO2 (~10%) and the existence of water steam in [...] Read more.
The hydrogenation of carbon dioxide (CO2) to produce light olefins is one of the most promising ways to utilize CO2 in power plant flue gas. However, the low concentration of CO2 (~10%) and the existence of water steam in the flue gas pose great challenges for the catalyst design. To address these problems, we introduced a Mg promoter and hydrophobic component into the Fe-based catalyst to improve the CO2 adsorption capacity and weaken the negative effects of water. The yield of light olefins on an optimized multifunctional Fe-based catalyst increased by 37% in low-concentration CO2 hydrogenation with water steam. A variety of characterizations proved that the Mg promoter played critical roles in regulating the adsorption capacity of CO2, increasing the surface electron density of Fe species, and promoting the formation of iron carbide active sites. The hydrophobic component mainly contributed to constraining the oxidation of iron carbides via water steam. It benefited from the rational design of the catalyst, showing how our multifunctional Fe-based catalyst has great potential for practical application in CO2 utilization. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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