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Modern Catalytic Reactor: From Active Center to Application Tests

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

Deadline for manuscript submissions: closed (10 April 2022) | Viewed by 32049

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Dr. Anna Gancarczyk

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Institute of Chemical Engineering, Polish Academy of Sciences, Bałtycka 5, 44-100 Gliwice, Poland
Interests: structured reactors; chemical reaction engineering; chemical reactor design; modeling and simulation
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Prof. Dr. Przemysław Jodłowski

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Cracow Univ Technol, Fac Chem Engn & Technol, Warszawska 24, PL-31155 Krakow, Poland
Interests: structured reactors; spectroscopy; catalytic combustion; deNOx; metal organic frameworks
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Prof. Dr. Maciej Sitarz

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Faculty of Materials Science and Ceramics, AGH University of Science and Technology, Krakow, Poland
Interests: material engineering; structure and microstructure of building materials; IR and NMR spectroscopy; corrosion; chemistry of building materials
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Special Issue Information

Dear Colleagues,

Rising demand for environmental protection has led to an intensive search for ever more effective solutions characterized by, for example, higher selectivity or yield, lower energy consumption, and even more compact geometry in catalytic converters. Therefore, researchers are still trying to develop active catalysts using effective techniques for catalyst deposition (e.g., sonochemical) as well as new catalyst supports, characterized by a favourable trade-off between mass (heat) transfer and flow resistance (e.g., wire meshes, short monoliths, and solid foams).

Therefore, the aim of the present Special Issue is to collect recent and the most up to date reports on the development, optimization, and testing of catalytic reactors, especially but not only used in environmental protection processes at every stage of their design, from microscale (e.g., identification of molecules involved in a unitary elementary act, surface analysis, and determining the reaction mechanism), through mesoscale (preparation and catalyst deposition) and macroscale (reactor design and modeling), to application tests. Broad contributions, including experimental and computational studies, would be valuable subjects of this Special Issue.

Dr. Anna Gancarczyk
Prof. Dr. Przemysław Jodłowski
Prof. Dr. Maciej Sitarz
Guest Editor

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Keywords

catalyst characterizations
catalysts
spectroscopy
metal–support interactions
reaction kinetics
modeling and simulation
structured reactors
application study

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Modern Catalytic Reactor: From Active Center to Application Tests, 2nd Edition in Catalysts (2 articles)

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Research

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13 pages, 2620 KiB

Open AccessArticle

Validation of a Fixed Bed Reactor Model for Dimethyl Ether Synthesis Using Pilot-Scale Plant Data

by Daesung Song, Sung Yong Cho, Thang Toan Vu, Yen Hoang Phi Duong and Eunkyu Kim

Catalysts 2021, 11(12), 1522; https://doi.org/10.3390/catal11121522 - 15 Dec 2021

Cited by 6 | Viewed by 4597

Abstract

The one-dimensional (1D) mathematical model of fixed bed reactor was developed for dimethyl ether (DME) synthesis at pilot-scale (capacity: 25–28 Nm³/h of syngas). The reaction rate, heat, and mass transfer equations were correlated with the effectiveness factor. The simulation results, including the temperature profile, CO conversion, DME selectivity, and DME yield of the outlet, were validated with experimental data. The average error ratios were below 9.3%, 8.1%, 7.8%, and 3.5% for the temperature of the reactor, CO conversion, DME selectivity, and DME yield, respectively. The sensitivity analysis of flow rate, feed pressure, H₂:CO ratio, and CO₂ mole fraction was investigated to demonstrate the applicability of this model. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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16 pages, 4264 KiB

Open AccessArticle

Process Intensification of Methane Production via Catalytic Hydrogenation in the Presence of Ni-CeO₂/Cr₂O₃ Using a Micro-Channel Reactor

by Vut Tongnan, Youssef Ait-lahcen, Chuthamas Wongsartsai, Chalempol Khajonvittayakul, Nuchanart Siri-Nguan, Navadol Laosiripojana and Unalome Wetwatana Hartley

Catalysts 2021, 11(10), 1224; https://doi.org/10.3390/catal11101224 - 11 Oct 2021

Cited by 2 | Viewed by 2130

Abstract

A slight amount of Cr₂O₃ segregation in 40 wt% NiO/Ce_0.5Cr_0.5O₂ was presented at the surface. The best catalytic performance towards the reaction was achieved at 74% of CO₂ conversion and 100% CH₄ selectivity at 310 °C, the reactant (H₂/CO₂) feed molar ratio was 4, and the WHSV was 56,500 ml_N·h⁻¹·g⁻¹_cat. The mechanistic pathway was proposed through carbonates and formates as a mediator during CO₂ and H₂ interaction. Activation energy was estimated at 4.85 kJ/mol, when the orders of the reaction were ranging from 0.33 to 1.07 for n^th-order, and 0.40 to 0.53 for m^th-order. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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11 pages, 3943 KiB

Open AccessFeature PaperArticle

Momentum Transfer in Short-Channel Structures of Hexagonal Channel Cross-Section Shape: Experiments vs. CFD

by Katarzyna Sindera, Marzena Iwaniszyn and Przemysław J. Jodłowski

Catalysts 2021, 11(9), 1036; https://doi.org/10.3390/catal11091036 - 27 Aug 2021

Cited by 1 | Viewed by 2133

Abstract

Short-channel structures are promising catalyst carriers because it is easy to control the heat/mass transfer and fluid flow characteristics by changing their lengths. In this work, the flow resistance of hexagonal structures was investigated experimentally and numerically. The structure tested (6 mm long) was manufactured from AISI 316 steel using the selective laser melting technique. Due to some differences between theoretical approaches and practical results, two types of computational models were applied to analyze the pressure distribution in a short hexagonal duct. It was shown that although experimental results agree with some theoretical solutions, the channel wall thickness should not be omitted from the overall flow resistance. A comparison of short structures differing in channel length with widely used long monoliths was performed as well. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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12 pages, 4193 KiB

Open AccessArticle

Dehydration of 2,3-Butanediol to 1,3-Butadiene and Methyl Ethyl Ketone: Modeling, Numerical Analysis and Validation Using Pilot-Scale Reactor Data

by Daesung Song, Sung-Yong Cho, Toan-Thang Vu, Hoang-Phi-Yen Duong and Eunkyu Kim

Catalysts 2021, 11(8), 999; https://doi.org/10.3390/catal11080999 - 19 Aug 2021

Cited by 7 | Viewed by 3596

Abstract

This work presents the numerical analysis and validation of a fixed bed reactor model for 2,3-butanediol (2,3-BDO) dehydration. The 1D heterogeneous reactor model considering interfacial and intra-particle gradients, was simulated and numerical analysis of the model was conducted to understand the characteristics of the reactions in a catalyst along the reactor length. The model was also validated by comparing predicted performance data with pilot-scale plant data operated at 0.2 bar, 299–343 °C and 0.48–2.02 h⁻¹ of weight hourly space velocity (WHSV). The model showed good agreement with the temperature profile, 2,3-BDO conversion and selectivity of target products. In addition, sensitivity analyses of the model were investigated by changing feed flow rate, feed composition, and inlet temperature. It was found that stable and efficient operation conditions are lower than 0.65 h⁻¹ of WHSV and 330–340 °C of inlet temperature. Additionally, the reactor performance was not affected by 2,3-BDO feed concentration above 70%. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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12 pages, 1599 KiB

Open AccessArticle

Degradation Kinetics and Mechanism of Polychloromethanes Reduction at Co-MoS₂/Graphite Felt Electrode

by Mohammed Dauda, Muhammad H. Al-Malack, Chanbasha Basheer, Mohammad Nahid Siddiqui and Almaz Jalilov

Catalysts 2021, 11(8), 929; https://doi.org/10.3390/catal11080929 - 30 Jul 2021

Cited by 1 | Viewed by 2042

Abstract

In this study, the electrochemical dechlorination of different polychloromethanes (CCl₄, CHCl₃, and CH₂Cl₂) on a Co-MoS₂ graphite felt cathode was investigated. The Co-MoS₂ electrocatalyst was prepared hydrothermally on a graphite felt support. The prepared catalyst’s characterization revealed the formation of hybridized CoSx and MoS₂ nanosheets deposited on the pore structures of graphite. The influencing factor for the electro-dechlorination parameters such as applied current density, pH, and sample concentration on the dechlorination rate was optimized. A significant capacitive reduction current density peak of approximately 1 mA/cm² was noted for CCl₄ at a potential of −0.3 V (vs. AgCl). The dechlorination mechanism was attributed to the stepwise hydrogenolysis mechanism that involves the organochlorides bond cleavage by H* insertion. It was noted that the Co-MoS₂ graphite felt electrode exhibited excellent catalytic activity toward the reduction of each of the chlorinated compounds with high selectivity toward the higher-order organochloride. Moreover, the dechlorination rates for each of the compounds were suited to the first-order kinetic model, and the estimated apparent rate constants showed the dechlorination in the following sequence CH₂Cl₂ (k₃ = 9.1 × 10⁻⁵ s⁻¹) < CHCl₃ (k₂ = 1.5 × 10⁻³ s⁻¹) < CCl₄ (k₁ = 2.8 × 10⁻³ s⁻¹). Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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21 pages, 4410 KiB

Open AccessFeature PaperArticle

Experimental and Theoretical Studies of Sonically Prepared Cu–Y, Cu–USY and Cu–ZSM-5 Catalysts for SCR deNO_x

by Przemysław J. Jodłowski, Izabela Czekaj, Patrycja Stachurska, Łukasz Kuterasiński, Lucjan Chmielarz, Roman J. Jędrzejczyk, Piotr Jeleń, Maciej Sitarz, Sylwia Górecka, Michal Mazur and Izabela Kurzydym

Catalysts 2021, 11(7), 824; https://doi.org/10.3390/catal11070824 - 7 Jul 2021

Cited by 13 | Viewed by 3631

Abstract

The objective of our study was to prepare Y-, USY- and ZSM-5-based catalysts by hydrothermal synthesis, followed by copper active-phase deposition by either conventional ion-exchange or ultrasonic irradiation. The resulting materials were characterized by XRD, BET, SEM, TEM, Raman, UV-Vis, monitoring ammonia and nitrogen oxide sorption by FT-IR and Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). XRD data confirmed the purity and structure of the Y/USY or ZSM-5 zeolites. The nitrogen and ammonia sorption results indicated that the materials were highly porous and acidic. The metallic active phase was found in the form of cations in ion-exchanged zeolites and in the form of nanoparticle metal oxides in sonochemically prepared catalysts. The latter showed full activity and high stability in the SCR deNO_x reaction. The faujasite-based catalysts were fully active at 200–400 °C, whereas the ZSM-5-based catalysts reached 100% activity at 400–500 °C. Our in situ DRIFTS experiments revealed that Cu–O(NO) and Cu–NH₃ were intermediates, also indicating the role of Brønsted sites in the formation of NH₄NO₃. Furthermore, the results from our experimental in situ spectroscopic studies were compared with DFT models. Overall, our findings suggest two possible mechanisms for the deNO_x reaction, depending on the method of catalyst preparation (i.e., conventional ion-exchange vs. ultrasonic irradiation). Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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14 pages, 2194 KiB

Open AccessArticle

Copper Tricomponent Catalysts Application for Hydrogen Production from Ethanol

by Łukasz Hamryszak, Maria Kulawska, Maria Madej-Lachowska, Michał Śliwa, Katarzyna Samson and Małgorzata Ruggiero-Mikołajczyk

Catalysts 2021, 11(5), 575; https://doi.org/10.3390/catal11050575 - 30 Apr 2021

Cited by 4 | Viewed by 2162

Abstract

The application of copper-based catalysts in the production of pure hydrogen in the steam reforming of ethanol was performed. The tricomponent Cu/Zr catalysts with about 4 mass% addition of nickel, cobalt, or cerium have been prepared in our laboratory. The properties of obtained catalysts were compared with bimetallic Cu/Zr catalyst prepared and tested according to the same procedure. Catalytic tests were carried out in the continuous flow fixed–bed reactor in the wide temperature range of 433–593 K for initial molar ratio of ethanol to water equal to 1:3. Catalysts were characterized by XRD, TPR, CO₂–TPD, and TPO methods. Cu/Zr/Ce catalyst proved to be the best; hydrogen yield reached the value of 400 L/(kg_cat.∙h), selectivity towards carbon monoxide was below 0.5% and the one towards methane wasnot detected. Additions of Ni or Co did not bring significant improvement in activity. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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19 pages, 22225 KiB

Open AccessArticle

Promotional Effect of Manganese on Selective Catalytic Reduction of NO by CO in the Presence of Excess O₂ over M@La–Fe/AC (M = Mn, Ce) Catalyst

by Fatemeh Gholami, Zahra Gholami, Martin Tomas, Veronika Vavrunkova, Somayeh Mirzaei and Mohammadtaghi Vakili

Catalysts 2020, 10(11), 1322; https://doi.org/10.3390/catal10111322 - 13 Nov 2020

Cited by 12 | Viewed by 3162

Abstract

The catalytic performance of a series of La-Fe/AC catalysts was studied for the selective catalytic reduction (SCR) of NO by CO. With the increase in La content, the Fe²⁺/Fe³⁺ ratio and amount of surface oxygen vacancies (SOV) in the catalysts increased; thus the catalytic activity improved. Incorporating the promoters to La3-Fe1/active carbon (AC) catalyst could affect the catalyst activity by changing the electronic structure. The increase in Fe²⁺/Fe³⁺ ratio after the promoter addition is possibly due to the extra synergistic interaction of M (Mn and Ce) and Fe through the redox equilibrium of M³⁺ + Fe³⁺ ↔ M⁴⁺ + Fe²⁺. This phenomenon could have improved the redox cycle, enhanced the SOV formation, facilitated NO decomposition, and accelerated the CO-SCR process. The presence of O₂ enhanced the formation of the C(O) complex and improved the activation of the metal site. Mn@La3-Fe1/AC catalyst revealed an excellent NO conversion of 93.8% at 400 °C in the presence of 10% oxygen. The high catalytic performance of MnO_x and double exchange behavior of Mn³⁺ and Mn⁴⁺ can increase the number of SOV and improve the catalytic redox properties. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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14 pages, 2895 KiB

Open AccessArticle

Solvent-Free Synthesis of Jasminaldehyde in a Fixed-Bed Flow Reactor over Mg-Al Mixed Oxide

by Zahra Gholami, Zdeněk Tišler, Pavla Vondrová, Romana Velvarská and Kamil Štěpánek

Catalysts 2020, 10(9), 1033; https://doi.org/10.3390/catal10091033 - 9 Sep 2020

Cited by 10 | Viewed by 3103

Abstract

In spite of the rapid developments in synthesis methodologies in different fields, the traditional methods are still used for the synthesis of organic compounds, and regardless of the type of chemistry, these reactions are typically performed in standardized glassware. The high-throughput chemical synthesis of organic compounds such as fragrant molecules, with more economic benefits, is of interest to investigate and develop a process that is more economical and industrially favorable. In this research, the catalytic activity of Mg-Al catalyst derived from hydrotalcite-like precursors with the Mg/Al molar ratio of 3 was investigated for the solvent-free synthesis of jasminaldehyde via aldol condensation of benzaldehyde and heptanal. The reaction was carried out in a fixed-bed flow reactor, at 1 MPa, and at different temperatures. Both Brønsted and Lewis (

O^{2 -}

anions) base sites, and Lewis acid sites exist on the surface of the Mg-Al catalyst, which can improve the catalytic performance. Increasing the reaction temperature from 100 °C to 140 °C enhanced both heptanal conversion and selectivity to jasminaldehyde. After 78 h of reaction at 140 °C, the selectivity to jasminaldehyde reached 41% at the heptanal conversion 36%. Self-condensation of heptanal also resulted in the formation of 2-n-pentyl-2-n-nonenal. The presence of weak Lewis acid sites creates a positive charge on the carbonyl group of benzaldehyde, and makes it more prone to attack by the carbanion of heptanal. Heptanal, is an aliphatic aldehyde, with higher activity than benzaldehyde. Therefore, the possibility of activated heptanal reacting with other heptanal molecules is higher than its reaction with the positively charged benzaldehyde molecule, especially at a low molar ratio of benzaldehyde to heptanal. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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Review

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20 pages, 9119 KiB

Open AccessReview

Will It Be Possible to Put into Practice the Mitigation of Ventilation Air Methane Emissions? Review on the State-of-the-Art and Emerging Materials and Technologies

by Anna Pawlaczyk-Kurek and Mikołaj Suwak

Catalysts 2021, 11(10), 1141; https://doi.org/10.3390/catal11101141 - 23 Sep 2021

Cited by 9 | Viewed by 3247

Abstract

The work refers to the important problem of methane emissions in relation to the ventilation air methane (VAM) emitted to the atmosphere. VAM is fuel that remains unused in most mines around the world due to the low content of the combustible component in the mixture (0.1–1%). The aim of this article is to present the real problems posed by released VAM in its utilization such as variability of flow, methane concentration, or possible presence of gaseous and non-gaseous pollutants. The paper presents the existing technologies that are ready to be implemented or have a reliable potential to be implemented in the industry and those whose development will have strong influence on the effective reduction in VAM emissions. The methods discussed include enrichment, thermal, and catalytic as well as photocatalytic oxidation. The catalysts dedicated to VAM oxidation were reviewed. The literature studies show that currently developed technologies enable more and more efficient oxidation of VAM. The most technologically advanced implemented solutions are based on the thermal oxidation method in TFRR. Catalytic methods are still at the laboratory research phase, but have been intensively developed and have the potential to be implemented at process scale in the future. Full article

(This article belongs to the Special Issue Modern Catalytic Reactor: From Active Center to Application Tests)

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