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Processes
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Catalysis for Production of Sustainable Fuels and Chemicals
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Catalysis for Production of Sustainable Fuels and Chemicals

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Catalysis Enhanced Processes".

Deadline for manuscript submissions: closed (25 January 2024) | Viewed by 7444

Special Issue Editor

Dr. Zahra Gholami

E-Mail Website
Guest Editor
ORLEN UniCRE a.s, Areál Chempark 2838, Záluží 1, 436 70 Litvínov, Czech Republic
Interests: catalysis; environmental catalysis; reaction engineering; green fuel production; adsorption; wastewater engineering
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Resources depletion and environmental pollutions, carbon emissions and global warming issues caused by using fossil fuels are one of the greatest challenges in the 21st century, and increased interest in the exploration of alternative energy and fuel sources and reduce the dependency on fossil fuels. Researchers in industry and academia are attempting to find an alternative and clean energy. The X to liquid (XTL) technologies for converting different carbon-containing sources, such as natural gas (GTL), coal (CTL), biomass (BTL), and waste/oil residues (WTL), to liquid fuels and chemicals have been studied extensively to achieve this goal. Different processes such as hydrogenation, polymerization, cracking, esterification, deoxygenation, etc. are required for the processing of these different feedstocks to convert them to value-added chemicals and fuels. The development and utilization of efficient catalysts are crucial for the sustainable production of chemicals and fuels.

We hope that the Special Issue will become a platform for the exchange of experiences and valuable research findings in the field of sustainable fuels and chemical production. This Special Issue is focused on the recent advances in catalyst preparation, characterization, and catalytic reactions for the production of fuels and chemicals from renewable feedstocks. Topics include but are not limited to:

  • Fischer-Tropsch synthesis as a sustainable process for fuel and chemical production;
  • Esterification and transesterification of renewable resources;
  • Catalytic cracking of waste cooking oil, vegetable oils, and nonedible animal fats for biofuel production;
  • Catalytic hydrogenation of vegetable oil;
  • Fuels and chemicals and from bio-based feedstocks;
  • Bioenergy as a renewable energy derived from biomass;

Authors are invited and welcome to submit original research papers, reviews, and short communications.

Dr. Zahra Gholami
Guest Editor

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. Processes 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 2400 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

  • catalysis
  • sustainable fuels and chemicals
  • catalyst preparation and characterization
  • renewable feedstocks
  • biofuels
  • pretreatment of feedstock

Published Papers (6 papers)

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Research

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18 pages, 4005 KiB  
Article
Acetalization of Alkyl Alcohols with Benzaldehyde over Cesium Phosphomolybdovanadate Salts
by Márcio José da Silva, Cláudio Júnior Andrade Ribeiro, Eduardo Nery de Araújo and Isadora Merighi Torteloti
Processes 2023, 11(7), 2220; https://doi.org/10.3390/pr11072220 - 24 Jul 2023
Cited by 1 | Viewed by 788
Abstract
In this work, vanadium-substituted cesium phosphomolybdate salts with general formulae Cs3+nPMo12−nVnO40 (n = 0, 1, 2, and 3) were synthesized and evaluated in the acetalization of benzaldehyde with alkyl alcohols. All the catalysts were characterized through [...] Read more.
In this work, vanadium-substituted cesium phosphomolybdate salts with general formulae Cs3+nPMo12−nVnO40 (n = 0, 1, 2, and 3) were synthesized and evaluated in the acetalization of benzaldehyde with alkyl alcohols. All the catalysts were characterized through Raman, infrared, and ultraviolet–visible spectroscopies, powder X-ray diffraction patterns, isotherms of N2 desorption/adsorption, and measurements of acidity strength. The catalytic activity of cesium phosphomolybdovanadate salts was evaluated in the acetalization reactions of benzaldehyde with alkyl alcohols. Among the salts tested, the Cs4PMo11V1O40 was the most active and selective catalyst in the conversion of benzaldehyde to methyl benzyl acetal and benzoic acid, which was obtained without the use of an oxidant agent. The impact of the main reaction parameters on the conversion and selectivity was evaluated by varying the content of vanadium per heteropolyanion, catalyst load, temperature, and alkyl alcohols. The greatest activity of the Cs4PMo11V1O40 salt was assigned to the highest Brønsted acidity strength, as demonstrated by the acidity measurements and analysis of their surface properties. This solid catalyst has advantages over traditional liquid homogenous catalysts, such as low corrosiveness, a minimum generation of residues and effluents, and easy recovery/reuse. In addition, its synthesis route is easier and quicker than solid-supported catalysts and comprises a potential alternative route to synthesize acetals. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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12 pages, 5825 KiB  
Article
Investigation on the Catalytic Cracking Mechanism of CuO on Dimethyl Sulfoxide (C2H6OS) and Surface Modification Effects: Insights from Density Functional Theory Calculations
by Yan-Qun Wang, Xiang-Long Meng, Hao-Hai Xia, Jian-Zheng Su, Li-Lin Lu and Wei-Chu Yu
Processes 2023, 11(6), 1781; https://doi.org/10.3390/pr11061781 - 11 Jun 2023
Viewed by 971
Abstract
To explore the catalytic cracking mechanism of CuO on oil shale and the catalytic activity of surface modifications of CuO on oil shale, dimethyl sulfoxide (C2H6OS) is used as a model molecule representative of organic sulfur compounds in oil [...] Read more.
To explore the catalytic cracking mechanism of CuO on oil shale and the catalytic activity of surface modifications of CuO on oil shale, dimethyl sulfoxide (C2H6OS) is used as a model molecule representative of organic sulfur compounds in oil shale, and the adsorption and dissociation behaviors of C2H6OS molecules on pure and OH pre-adsorbed CuO(111) surfaces were investigated by density functional theory calculations. The results indicate that C2H6OS selectively adsorbs at the Cusub sites via the S atom and decomposes through cleavage of the C–H bond prior to the breaking of the C-S bond on both surfaces. The presence of OH on the CuO(111) surface promoted the dissociation of C2H6OS. The energy barriers of dehydrogenation and desulfurization of C2H6OS on the OH pre-adsorbed CuO(111) surface were 20.0 and 19.3 kcal/mol, respectively, which are 41% and 49% lower than those on pure surfaces. The present results provide crucial guidance for the synthesis and improvement of high-performance pyrolysis catalysts specifically designed for oil shale applications. Additionally, they also present important data regarding to the thermal stability of C2H6OS in the presence of incompatible substances. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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13 pages, 2696 KiB  
Article
Theoretical Investigation on the Catalytic Effect and Mechanism of Pure and Cu−Doped SBA−15 Molecular Sieves on the Decomposition of Dimethyl Sulfoxide
by Haohai Xia, Xianglong Meng, Xingchao Jiang, Lilin Lu and Yanqun Wang
Processes 2023, 11(5), 1386; https://doi.org/10.3390/pr11051386 - 04 May 2023
Cited by 1 | Viewed by 973
Abstract
The interaction mechanism between oil shale and catalyst is very important for the design and synthesis of related catalysis. In this work, dimethyl sulfoxide (DMSO) serves as a model molecule for organic sulfur compounds in oil shale to explore the catalytic effect and [...] Read more.
The interaction mechanism between oil shale and catalyst is very important for the design and synthesis of related catalysis. In this work, dimethyl sulfoxide (DMSO) serves as a model molecule for organic sulfur compounds in oil shale to explore the catalytic effect and mechanism of the pure and transition metal Cu−doped SBA−15 molecular sieves regarding the decomposition of organic sulfur compounds in oil shale using the density functional theory (DFT) method. It is found that DMSO adsorption on both surfaces is primarily attributed to hydrogen bonding or the interaction between the S and O moieties within the molecule and the surface Cu atoms. The adsorption energies on both surfaces are indistinguishable; however, the Cu−doped SBA−15 shows enhanced catalytic activity in dissociation reactions. The Gibbs free energy changes for both possible reaction pathways of DMSO breaking C−S bonds on the pure SBA−15 surface are positive, and the activation energy barriers are as high as ~75 kcal/mol, indicating that the dissociation of C−S bonds in DMSO is unlikely to occur on this surface. In contrast, the Gibbs free energy change for the same reaction on the Cu−doped SBA−15 surface is negative, and the energy barrier is reduced by ~40 kcal/mol compared to that on the pure SBA−15 surface. Furthermore, the resulting methyl group is more likely to bond with the bridging oxygen atom. In addition, our research proposes that the dissociation of the C−H and C−S bonds of DMSO on the Cu−doped SBA−15 surface was competitive. These findings provide theoretical guidance for the development of highly efficient catalysts intended for the pyrolysis of oil shale under appropriate conditions. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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14 pages, 3665 KiB  
Article
The Activity and Stability of Promoted Cu/ZnO/Al2O3 Catalyst for CO2 Hydrogenation to Methanol
by Nor Hafizah Berahim, Noor Asmawati Mohd Zabidi, Raihan Mahirah Ramli and Nur Amirah Suhaimi
Processes 2023, 11(3), 719; https://doi.org/10.3390/pr11030719 - 28 Feb 2023
Cited by 1 | Viewed by 1888
Abstract
Cu/ZnO/Al2O3 catalyst with the addition of tri-promoters (Mn/Nb/Zr) was investigated with respect to their catalytic activity and stability in a prolonged reaction duration in methanol synthesis. Spent catalysts were characterized using N2 adsorption-desorption, FESEM/EDX, TEM, N2O chemisorption, [...] Read more.
Cu/ZnO/Al2O3 catalyst with the addition of tri-promoters (Mn/Nb/Zr) was investigated with respect to their catalytic activity and stability in a prolonged reaction duration in methanol synthesis. Spent catalysts were characterized using N2 adsorption-desorption, FESEM/EDX, TEM, N2O chemisorption, and XPS for their physicochemical properties. The catalyst longevity study was evaluated at two days, seven days, and 14 days at 300 °C, 31.25 bar, 2160 mL/g.hr GHSV, and H2:CO2 at 10:1. The CO2 conversion and methanol yield decreased by about 5.7% and 7.7%, respectively, when the reaction duration was prolonged to 14 days. A slight reduction in catalytic activity under prolonged reaction duration was found due to thermal degradation. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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14 pages, 2463 KiB  
Article
Influence of Water on the Production of Liquid Fuel Intermediates from Furfural via Aldol Condensation over MgAl Catalyst
by Zdeněk Tišler, Pavla Vondrová, Kateřina Peroutková, Josef Šimek, Lenka Skuhrovcová, Kateřina Strejcová, Eliška Svobodová and Zahra Gholami
Processes 2023, 11(1), 261; https://doi.org/10.3390/pr11010261 - 13 Jan 2023
Cited by 1 | Viewed by 1703
Abstract
The aldol condensation of furfural and acetone is considered a promising method for the production of liquid fuel intermediates. 4-(2-furyl)-3-buten-2-one (FAc) and 1,5-di-2-furanyl-1,4-pentadien-3-one (F2Ac) are the main products of the reaction, which can go through the hydrodeoxygenation process to convert to diesel and [...] Read more.
The aldol condensation of furfural and acetone is considered a promising method for the production of liquid fuel intermediates. 4-(2-furyl)-3-buten-2-one (FAc) and 1,5-di-2-furanyl-1,4-pentadien-3-one (F2Ac) are the main products of the reaction, which can go through the hydrodeoxygenation process to convert to diesel and jet fuel range fuels. Considering the present situation at the fuel-market related to crude oil shortage, the above-mentioned process seems to be a convenient path to obtain fuels in the diesel and kerosene range. This research focuses on the effect of water on the furfural conversion and product distribution during the aldol condensation. The catalyst chosen for this research was MgAl mixed oxide in molar ratio 3:1. The reaction was performed at 40 °C and 1 MPa in a continuous-flow reactor with and without water in the feedstock. The physicochemical properties of the catalyst were evaluated using different techniques. The catalyst lifetime decreased and the catalyst deactivation started faster by the addition of 5 wt.% water to the feedstock with the furfural to acetone ratio (F:Ac) of 1:2.5. Selectivity to FAc increased by 10% in the presence of water. The catalyst lifetime enhanced by increasing the F:Ac ratio from 1:2.5 to 1:5, in the presence of 5 wt.% water. The furfural conversion was 100% after 28 h of reaction, and then decreased gradually to 40% after 94 h of reaction. At higher F:Ac ratio, the selectivity to FAc was 10% higher, while the F2Ac was about 8% lower. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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Review

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19 pages, 10095 KiB  
Review
Challenges and Perspectives of the Conversion of Lignin Waste to High-Value Chemicals by Pyrolysis
by Zhouqing Tan, Yuanyuan Li, Feifei Chen, Jiashu Liu, Jianxiong Zhong, Li Guo, Ran Zhang and Rong Chen
Processes 2024, 12(3), 589; https://doi.org/10.3390/pr12030589 - 14 Mar 2024
Viewed by 560
Abstract
The pyrolysis process is a thermochemical conversion reaction that encompasses an intricate array of simultaneous and competitive reactions occurring in oxygen-depleted conditions. The final products of biomass pyrolysis are bio-oil, biochar, and some gases, with their proportions determined by the pyrolysis reaction conditions [...] Read more.
The pyrolysis process is a thermochemical conversion reaction that encompasses an intricate array of simultaneous and competitive reactions occurring in oxygen-depleted conditions. The final products of biomass pyrolysis are bio-oil, biochar, and some gases, with their proportions determined by the pyrolysis reaction conditions and technological pathways. Typically, low-temperature slow pyrolysis (reaction temperature below 500 °C) primarily yields biochar, while high-temperature fast pyrolysis (reaction temperature 700–1100 °C) mainly produces combustible gases. In the case of medium-temperature rapid pyrolysis (reaction temperature around 500–650 °C), conducted at very high heating rates and short vapor residence times (usually less than 1 s), the maximum liquid yield can reach up to 85 wt% (on a wet basis) or achieve 70 wt% (on a dry basis), with bio-oil being the predominant product. By employing the pyrolysis technique, valuable utilization of tobacco stem waste enriched with lignin can be achieved, resulting in the production of desired pyrolysis products such as transportation fuels, bio-oil, and ethanol. The present review focuses on catalytic pyrolysis, encompassing catalytic hydropyrolysis and catalytic co-pyrolysis, and meticulously compares the impact of catalyst structure on product distribution. Initially, we provide a comprehensive overview of the recent pyrolysis mechanism of lignin and tobacco waste. Subsequently, an in-depth analysis is presented, elucidating how to effectively design the catalyst structure to facilitate the efficient conversion of lignin through pyrolysis. Lastly, we delve into other innovative pyrolysis methods, including microwave-assisted and solar-assisted pyrolysis. Full article
(This article belongs to the Special Issue Catalysis for Production of Sustainable Fuels and Chemicals)
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