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Special Issue "Design and Application of Innovation Catalysts for Hydrogenation"

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "B4: Hydrogen Energy".

Deadline for manuscript submissions: closed (26 July 2021) | Viewed by 3566
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Special Issue Editor

Prof. Dr. Insoo Ro
E-Mail Website
Guest Editor
Department of Chemical and Biomolecular Engineering, Seoul National University of Science and Technology, Seoul 01811, Korea
Interests: heterogeneous catalysis; photo-catalysis; catalyst design; in situ and operando characterizations; reaction kinetics; single-atom catalysts

Special Issue Information

Dear Colleagues,

Catalytic hydrogenation is important and widely used in many areas of the chemical industry, such as the fine chemical and pharmaceutical sectors. For example, the synthesis of ammonia via the Harber-Bosch process, one of the most important processes saving human beings from hunger, is the hydrogenation reaction with nitrogen over iron-based catalysts. Another good example is the hydrogenation of carbon monoxide using cobalt and iron catalysts via the Fischer-Tropsch process, producing value-added fuels from carbon monoxide and hydrogen.

Conversion and selectivity toward desired products in hydrogenation are directly related to the performance of the catalyst, and, therefore, the design of active and stable catalysts is of particular importance. Traditionally, a variety of methods including impregnation, co-precipitation, deposition-precipitation, chemical vapor deposition, and ion-exchange have been employed to prepare active, selective, and stable catalysts for hydrogenation reaction. Recently, there have been attempts to use atomically dispersed catalysts for hydrogenation reaction to regulate the selectivity, but metal atoms of those catalysts are susceptible to sintering under an H2 atmosphere at elevated reaction temperature due to high surface-free energy. A combination of various characterization techniques such as Fourier-transform infrared spectroscopy (FT-IR), high-resolution scanning and transmission electron microscopy, and X‐ray photoelectron spectroscopy (XPS) has been employed to characterize the catalyst structures, but the mixture of multicomponents (and the dynamic structures) of working catalysts has prevented us from fully understanding the structure–activity relationships and identifying the active sites.

This Special Issue will feature articles on the synthesis and applications of heterogeneous catalysts for hydrogenation reaction wherein novelty arises from any of the following: (i) the synthesis and applications of new active, selective, and stable catalysts for hydrogenation; (ii) understanding of structure–activity relationship via in situ and in operando characterization of the dynamic structure of working catalysts under reaction conditions; (iii) the identification of the active sites and reaction kinetics.

Prof. Dr. Insoo Ro
Guest Editor

Manuscript Submission Information

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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

  • catalyst design
  • hydrogenation
  • structure-activity relationships
  • reaction kinetics
  • characterizations

Published Papers (4 papers)

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Research

Article
Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe7C3(001) Surfaces for Fischer–Tropsch Synthesis Using Density Functional Theory Calculations
Energies 2021, 14(3), 563; https://doi.org/10.3390/en14030563 - 22 Jan 2021
Cited by 1 | Viewed by 682
Abstract
Fischer–Tropsch synthesis (FTS), which converts CO and H2 into useful hydrocarbon products, has attracted considerable attention as an efficient method to replace crude oil resources. Fe-based catalysts are mainly used in industrial FTS, and Fe7C3 is a common carbide [...] Read more.
Fischer–Tropsch synthesis (FTS), which converts CO and H2 into useful hydrocarbon products, has attracted considerable attention as an efficient method to replace crude oil resources. Fe-based catalysts are mainly used in industrial FTS, and Fe7C3 is a common carbide phase in the FTS reaction. However, the intrinsic catalytic properties of Fe7C3 are theoretically unknown. Therefore, as a first attempt to understand the FTS reaction on Fe7C3, direct CO* dissociation on orthorhombic Fe7C3(001) (o-Fe7C3(001)) surfaces was studied using density functional theory (DFT) calculations. The surface energies of 14 terminations of o-Fe7C3(001) were first compared, and the results showed that (001)0.20 was the most thermodynamically stable termination. Furthermore, to understand the effect of the surface C atom coverage on CO* activation, C–O bond dissociation was performed on the o-Fe7C3(001)0.85, (001)0.13, (001)0.20, (001)0.09, and (001)0.99 surfaces, where the surface C atom coverages were 0.00, 0.17, 0.33, 0.33, and 0.60, respectively. The results showed that the CO* activation linearly decreased as the surface C atom coverage increased. Therefore, it can be concluded that the thermodynamic and kinetic selectivity toward direct CO* dissociation increased when the o-Fe7C3(001) surface had more C* vacancies. Full article
(This article belongs to the Special Issue Design and Application of Innovation Catalysts for Hydrogenation)
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Article
Deoxydehydration and Catalytic Transfer Hydrogenation: New Strategy to Valorize Tartaric Acid and Succinic Acid to γ-Butyrolactone and Tetrahydrofuran
Energies 2020, 13(23), 6402; https://doi.org/10.3390/en13236402 - 03 Dec 2020
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Abstract
Hydrogenation of succinic acid and maleic acid produces C4 value-added chemicals such as γ-butyrolactone and tetrahydrofuran. Here, unsupported ReOx nanoparticles transform succinic acid to γ-butyrolactone and tetrahydrofuran via catalytic transfer hydrogenation with isopropanol as a liquid phase hydrogen donor. This catalyst is [...] Read more.
Hydrogenation of succinic acid and maleic acid produces C4 value-added chemicals such as γ-butyrolactone and tetrahydrofuran. Here, unsupported ReOx nanoparticles transform succinic acid to γ-butyrolactone and tetrahydrofuran via catalytic transfer hydrogenation with isopropanol as a liquid phase hydrogen donor. This catalyst is also active for the sequential reaction of deoxydehydration and transfer hydrogenation in isopropanol, synthesizing renewable succinic acid and its esters from tartaric acid. One-step conversion of tartaric acid to γ-butyrolactone is achieved in a moderate yield and the possible reaction pathway is discussed. Full article
(This article belongs to the Special Issue Design and Application of Innovation Catalysts for Hydrogenation)
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Article
Reverse Water–Gas Shift Chemical Looping Using a Core–Shell Structured Perovskite Oxygen Carrier
Energies 2020, 13(20), 5324; https://doi.org/10.3390/en13205324 - 13 Oct 2020
Cited by 6 | Viewed by 1013
Abstract
Reverse water–gas shift chemical looping (RWGS-CL) offers a promising means of converting the greenhouse gas of CO2 to CO because of its relatively low operating temperatures and high CO selectivity without any side product. This paper introduces a core–shell structured oxygen carrier [...] Read more.
Reverse water–gas shift chemical looping (RWGS-CL) offers a promising means of converting the greenhouse gas of CO2 to CO because of its relatively low operating temperatures and high CO selectivity without any side product. This paper introduces a core–shell structured oxygen carrier for RWGS-CL. The prepared oxygen carrier consists of a metal oxide core and perovskite shell, which was confirmed by inductively coupled plasma mass spectroscopy (ICP-MS), XPS, and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) measurements. The perovskite-structured shell of the prepared oxygen carrier facilitates the formation and consumption of oxygen defects in the metal oxide core during H2-CO2 redox looping cycles. As a result, amounts of CO produced per unit weight of the core–shell structured oxygen carriers were higher than that of a simple perovskite oxygen carrier. Of the metal oxide cores tested, CeO2, NiO, Co3O4, and Co3O4-NiO, La0.75Sr0.25FeO3-encapsulated Co3O4-NiO was found to be the most promising oxygen carrier for RWGS-CL, because it was most productive in terms of CO production and exhibited long-term stability. Full article
(This article belongs to the Special Issue Design and Application of Innovation Catalysts for Hydrogenation)
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Article
Hydrocracking of C5-Isolated Asphaltene and Its Fractions in Batch and Semi-Batch Reactors
Energies 2020, 13(17), 4444; https://doi.org/10.3390/en13174444 - 27 Aug 2020
Cited by 3 | Viewed by 694
Abstract
Non-catalytic and catalytic hydrocracking of C5-isolated asphaltene and its subfractions were performed in batch and semi-batch reactors at various temperatures. Catalyst and H2 played an important role in the hydrocracking of asphaltenes. In the batch system, the catalyst enhanced asphaltene [...] Read more.
Non-catalytic and catalytic hydrocracking of C5-isolated asphaltene and its subfractions were performed in batch and semi-batch reactors at various temperatures. Catalyst and H2 played an important role in the hydrocracking of asphaltenes. In the batch system, the catalyst enhanced asphaltene conversion to light liquid products and suppressed coke formation. The coke formation was controlled at a low reaction temperature, but the reaction rate was too low. Light liquid products were also formed at the beginning of the reaction even at high temperatures, but the coke formation was predominant as the reaction time went on due to the decrease in H2 amount in the reactor. To solve these problems, H2 was continuously supplied during the reaction using the semi-batch system. Sufficient supply of H2 improved the conversion of asphaltenes to light liquid products while inhibiting the coke formation. The lightest asphaltene fraction was easily cracked into light products by inhibiting the coke formation, while the heaviest fraction tends to form coke. The lightest asphaltene fraction prolonged the coke induction period of the heaviest fraction during the catalytic hydrocracking because the lightest fraction contained a significant amount of heavy resin close to that which could prevent aggregation of the heaviest asphaltenes. Full article
(This article belongs to the Special Issue Design and Application of Innovation Catalysts for Hydrogenation)
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