Article
Thermodynamics
Poulami Roy, Hossein Jahromi, Tawsif Rahman, Sushil Adhikari, Farshad Feyzbar-Khalkhali-Nejad, El Barbary Hassan, Tae-Sik Oh
Summary: The performance of cobalt-molybdenum catalysts in the hydrotreating of algae biocrude and carinata oil was investigated. The results showed a synergistic effect in the hydrotreating of the blends, with the yield of the upgraded blend oils higher than the individual parent oils. Sulfided CoMo/DF exhibited superior activity in hydrodeoxygenation reactions, while sulfided CoMo/Al showed high activity in hydrodenitrogenation and hydrodesulfurization reactions.
ENERGY CONVERSION AND MANAGEMENT
(2022)
Article
Engineering, Chemical
Yi Huang, Jie Feng, Chang-Hai Liang, Peng Huang, Xiang-Wen Zhang, Qiang Xie, Wen-Ying Li
Summary: The efficient transformation of medium- and low-temperature coal tar into high-performance fuel and value-added chemicals has been achieved through an innovative coal tar processing process. A matrix of model compounds was used to represent the coal tar and hydrogenation products in order to optimize process parameters through kinetics modeling. The energy efficiency and element utilization associated with the entire process were calculated, and the energy use, CO2 emission, and target costing of the proposed coal tar process were evaluated through life cycle assessment.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Energy & Fuels
Hao Xu, Xing Fan, Guo-Sheng Li, Yang-Yang Xu, Wen-Long Mo, Peter N. Kuznetsov, Feng-Yun Ma, Xian-Yong Wei
Summary: The physicochemical properties of Co-Mo/gamma-Al2O3 bimetallic catalyst were analyzed through a series of characterization methods, and its activity in hydroconversion of four coal-related model compounds was investigated. The possible reaction pathways of the model compounds were proposed based on GC/MS data.
JOURNAL OF THE ENERGY INSTITUTE
(2021)
Article
Chemistry, Physical
Cheng Zhu, Oliver Y. Gutierrez, Daniel M. Santosa, Matthew Flake, Roland Weindl, Igor Kutnyakov, Hui Shi, Huamin Wang
Summary: This study provides the kinetics and reaction networks for the co-processing of biomass- and waste-derived biocrudes with petroleum streams, focusing on the conversion of heteroatom-containing compounds. The results show that the deoxygenation followed by denitrogenation pathway is dominant, and H2S and amine intermediates have different effects on the reaction process. Additionally, the removal of nitrogenous species remains the main challenge in co-processing.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Multidisciplinary
Ding Jiang, Hongping Li, Xiaoxue Cheng, Shuang Wang, Abdelfatah Abomohra, Bin Cao
Summary: The effects of doped nitrogen atoms in carbon materials on the hydrodeoxygenation (HDO) and hydrodenitrogenation (HDN) processes were investigated. The results showed that nitrogen-doped carbon materials have good catalytic activity, promoting the activation of hydrogen molecules and the breaking of C-O/C-N bonds. This study provides theoretical guidance and views for the development of high-performance carbon catalysts that can replace conventional metal catalysts.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Energy & Fuels
T. S. Romanova, K. A. Nadeina, I. G. Danilova, V. V. Danilevich, V. P. Pakharukova, A. A. Gabrienko, T. S. Glazneva, E. Yu. Gerasimov, I. P. Prosvirin, Yu. V. Vatutina, M. O. Kazakov, O. V. Klimov, A. S. Noskov
Summary: The effect of Si incorporation at the stage of alumina preparation on the physico-chemical properties and catalytic performance of NiMo/Al2O3 catalysts for FCC feedstock pretreatment was studied. Silicon addition changed the texture characteristics of the support and reduced the acidity of alumina. Incorporation of Si facilitated the segregation of Ni from the NiMoS phase. Addition of Si through kneading improved the hydrodesulfurization activity of the catalysts in VGO hydrotreating.
Article
Engineering, Environmental
Yang Peng, Zhanwei Xu, Le Yu, Xucheng Li, Weiran Yang
Summary: The direct conversion of furfural to 2-methyltetrahydrofuran was studied using a CuNiRe/H beta catalyst. The highest yield of 2-MTHF achieved was 81%. The inhibition of Cu nanoparticles growth by loading Ni or Re resulted in better catalytic activity.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Applied
Ivan Shamanaev, Anna O. Suvorova, Evgeny Yu Gerasimov, Vera P. Pakharukova, Maxim A. Panafidin, Ilya Yakovlev, Galina A. Bukhtiyarova
Summary: Ni-phosphides are a promising alternative to conventional NiMo sulfides for hydrotreatment, but their activity is lower compared to NiMo/Al2O3 catalysts and can be negatively affected under certain conditions.
Article
Chemistry, Organic
Gantumur Baasandorj, Enkhsaruul Byambajav, Narangerel Janchig, Tugsuu Tserendorj
Summary: In this study, hydrotreatment of middle distillates of Mongolian coal tars was conducted to obtain a clean feed for diesel fuel. The results showed that hydrodesulfurization proceeded deeply with activities over 80%, while hydrodenitrogenations and hydrodeoxygenations had lower activities. Based on elemental analysis, the HDO activities of middle distillates were very low.
PETROLEUM CHEMISTRY
(2022)
Article
Chemistry, Physical
Sourav Ghosh, Laurence Courtheoux, Sylvette Brunet, Patrick Lacroix-Desmazes, Annie Pradel, Etienne Girard, Denis Uzio
Summary: Several CoMoS/carbons were synthesized using hydrothermal-type approaches followed by a surface reaction with Co for the promotion step. The impact of carbon nanostructures (1D nanofibers/tubes or 2D nanosheets) as a matrix on the characteristics and catalytic properties of CoMoS crystallites was investigated in hydrotreating reactions. The microstructure was found to affect the HDS mechanism of 4-MethylDiBenzoThiophene (4-MDBT) and the selectivity of 3-MethylThiophene (3-MT) HDS/2,3-DiMethylBut-2-eNe (2,3-DM2BN) hydrogenation.
Review
Chemistry, Organic
Chetan Lakshman, Sankar Hari Prakash, Selvaraj Mohana Roopan
Summary: The development of nanomaterials has enabled the transformation of materials at the nanoscale level. Although there are promising materials with electrical, physical, and mechanical properties, their inability to distinguish between semiconducting and metallic phases has limited their potential in electronics. However, molybdenum disulfide, with its versatile properties, has been widely used in various organic syntheses for applications such as desulfurization, denitrogenation, reduction, heterocycle synthesis, and photocatalysis.
SYNTHETIC COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Qi Guo, Xinglong Hou, Wei Xu, Junli Liu
Summary: In this study, Ni3Co1/ELAC catalyst was used to selectively convert furfural to cyclopentanol. The reaction mechanism was deduced and confirmed through experimental results and characterization techniques. The importance of aqueous solution in the reaction was also demonstrated.
Article
Agricultural Engineering
Sreedhar Gundekari, Bijoy Biswas, Thallada Bhaskar, Kannan Srinivasan
Summary: This work investigated the hydrodeoxygenation-hydrogenation of lignin-based methoxyphenols to cyclohexanol using an in situ generated Ru(0)@Mg(OH)(2) catalyst in aqueous medium. The active catalyst Ru(0)@Mg(OH)(2) was generated from hydrous ruthenium oxide (HRO)/Mg(OH)(2) under reaction conditions. Controlled addition of H-2 at a constant temperature improved the selectivity of cyclohexanol compared to the conventional batch mode process. Complete conversion of methoxyphenols with high selectivity for cyclohexanol was achieved under relatively milder reaction conditions. The method and catalyst reported in this work are also effective for lignin-derived phenolic concoction.
BIOMASS & BIOENERGY
(2022)
Article
Chemistry, Physical
K. A. Nadeina, V. V. Danilevich, M. O. Kazakov, T. S. Romanova, A. A. Gabrienko, I. G. Danilova, V. A. Pakharukova, O. A. Nikolaeva, E. Yu Gerasimov, I. P. Prosvirin, D. O. Kondrashev, A. Kleimenov, O. Klimov, A. S. Noskov
Summary: By adding Si during the preparation of boehmite, it can enhance the hydrodesulfurization and hydrodenitrogenation activities of NiMo/Al2O3 catalysts. Introducing Si to alumina induces the formation of wider mesopores and blocks some of the Lewis acid sites of alumina.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Engineering, Chemical
Rong Wang, Hongming Sun, Mengxin Liang, Hongwei Zhang, Qingyan Cui, Tinghai Wang, Pei Yuan
Summary: In this study, flower-like and pure-phase supported nickel phosphide catalysts were successfully fabricated through a hydrotalcite strategy with red phosphorus as the phosphorus source. The Ni2P/Al2O3 catalyst exhibited excellent hydrogenation activity, hydrodesulfurization ability, and stability towards the hydrogenation of petroleum resin.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Energy & Fuels
Kawthar Z. Alzarieni, Yanfen Zhang, Edouard Niyonsaba, Katherine E. Wehde, Cliff T. Johnston, Gozdem Kilaz, Hilkka Kenttamaa
Summary: Condensate oils are considered good candidates for diluting heavy crude oil to lower viscosity, but can lead to asphaltene precipitation post-dilution. Determining the chemical compositions of condensate oils is crucial for selecting the proper diluent for heavy crude oil. Factors such as API gravity and chemical compositions influence the performance of condensate-like oils in diluting heavy crude oil.
Review
Energy & Fuels
Martin Stas, Milos Auersvald, Petr Vozka
Summary: Raw pyrolysis bio-oils have potential to be used as liquid biofuels or raw materials for advanced transportation biofuels. Detailed chemical characterization of bio-oils is challenging due to their complex composition. Two-dimensional gas chromatography (2D-GC) can help identify unknown bio-oil compounds.
Article
Chemistry, Analytical
Milos Auersvald, Martin Stas, Pavel Simacek
Summary: This paper investigates the determination of phenols and cyclic olefins in bio-oils, finding a feasible method through analysis of 140 oxygenates and optimization of chromatographic separation. A good correlation between phenols and oxygen content was discovered, providing a reliable way to quantify these compounds in hydrotreated bio-oils.
Article
Chemistry, Physical
Petr Straka, Josef Blazek, Daria Toullis, Tomas Ihnat, Pavel Simacek
Summary: This study compares the hydrotreating of petroleum distillates and a mixture containing rapeseed oil. It found that complete conversion of rapeseed oil and minimum aromatic hydrocarbon content in the products can be achieved under different reaction conditions, while sulfur content can be controlled within acceptable levels under appropriate reaction conditions.
Article
Energy & Fuels
Kai Jin, Petr Vozka, Clayton Gentilcore, Gozdem Kilaz, Nien-Hwa Linda Wang
Summary: A new low-pressure hydrothermal processing method has been developed to convert polyolefin waste into clean oils with high yield, which can be further distilled into gasoline and diesel. This method saves a significant amount of energy and reduces greenhouse gas emissions compared to conventional production methods.
Article
Chemistry, Physical
Josef Blazek, Daria Toullis, Petr Straka, Martin Stas, Pavel Simacek
Summary: This study demonstrates the co-hydrotreating of rapeseed oil and a petroleum feedstock, showing that the catalyst had high hydrogenation activity and the hydrogen consumption increased with pressure. The conversion of rapeseed oil required higher hydrogen consumption compared to the hydrotreating of the petroleum feedstock.
Article
Chemistry, Analytical
Milos Auersvald, Lukas Kejla, Andreas Eschenbacher, Hang Dao Thi, Kevin M. Van Geem, Pavel Simacek
Summary: This study used various gas chromatography techniques to quantitatively analyze the sulfur content in crude bio-oils produced from different biomasses and after hydrotreatment, identifying the most abundant sulfur compounds and finding that hydrogen sulfide was not sufficiently removed during the hydrotreatment process. The analytical methods employed provided unprecedented details about the sulfur speciation in bio-oils, which can further drive research and development in bio-oil upgrading.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Engineering, Chemical
Ethan T. Hillman, Louis Edwards Caceres-Martinez, Gozdem Kilaz, Kevin Solomon
Summary: Microbial processes in oil wells can be engineered to inhibit deleterious hydrogen sulfide production and shape oil hydrocarbon composition through nutrient injection strategies, as demonstrated by this study which screened microbial communities from five oil wells in the Illinois basin. The economic potential and sustainability of top-down approaches for microbiome engineering to control microbes in oil extraction and enhance oil recovery have been validated through pilot studies.
Article
Energy & Fuels
Jacob D. Guthrie, Mark Romanczyk, Gozdem Kilaz, Michael E. Peretich, Hilkka I. Kenttaemaa
Summary: The ability to detect, characterize, and quantify phenols in aviation fuels is crucial due to their potential negative impact on fuel storage stability. The researchers developed a method using gas chromatography coupled with positive-ion-mode methane chemical ionization/triple quadrupole mass spectrometry to effectively characterize and quantify phenols in fuels.
Article
Biochemical Research Methods
Yue Fu, Wanru Li, Jeremy M. Manheim, Jacob Milton, Gozdem Kilaz, Hilkka Kenttamaa
Summary: Characterizing complex mixtures of large alkanes is vital for various fields, and tandem mass spectrometry is the only method capable of molecular-level characterization. However, the lack of available proton affinity values for alkanes has posed a challenge in this regard.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Engineering, Environmental
Petr Straka, Milos Auersvald, Dan Vrtiska, Hugo Kittel, Pavel Simacek, Petr Vozka
Summary: The hydrotreating of scrap tires pyrolysis oil over commercial Ni-Mo/Al2O3 catalyst was investigated to produce high-quality alternative transportation fuel components. Despite the initial high content of olefins, aromatics, sulfur, and nitrogen, the fuel components obtained after hydrotreating met most fuel specifications. The different fractions of the oil can be used as gasoline, jet fuel, diesel, and marine fuel components by applying additional treatments or blending methods.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Energy & Fuels
Hugo Kittel, Katerina Chrudimska, Daniel Kadlecek, Martin Psenicka, Pavel Simacek
Summary: The objective of this study was to re-distill hydrocracked kerosene and determine the dependence of jet fuel parameters on the mean boiling point of the cuts. The properties of the analyzed cuts deteriorated with increasing mean boiling point, and cuts with higher mean boiling points did not meet jet fuel specifications. Aromatics were found to be crucial in controlling the distillation range, and the low freezing point characteristic of the narrow cuts resulted in a synergy when blended with other kerosene. This research provides new insights into the characteristics of hydrocracked kerosene.
PETROLEUM SCIENCE AND TECHNOLOGY
(2023)
Article
Engineering, Chemical
Hugo Kittel, Jiri Horsky, Pavel Simacek
Summary: The popularity of air transport is increasing due to its speed, comfort, and extensive network. This has led to a high demand for jet fuel, which is also facing scrutiny for its impact on the environment. To address this issue, it is necessary to blend alternative petroleum fractions with sustainable aviation components in oil refineries. Different samples of alternative jet fuel were tested for their specific properties and compared to standard Jet A-1 kerosene. The properties varied significantly, but correlations were found, indicating potential synergies in blending these components.
Article
Energy & Fuels
Wanru Li, Jeremy M. Manheim, Yue Fu, Tiina Laaksonen, Gozdem Kilaz, Hilkka I. Kenttamaa
Summary: The performance of APCI LQIT Orbitrap MS and GCxGC/EI TOF MS were compared for the analysis of heavy base oils. APCI predominantly ionized compounds via protonation, while GCxGC/EI enabled chromatographic separation. APCI provided more information for large compounds, while GCxGC/EI gave more accurate results for aromatic hydrocarbons and small alkanes.
Correction
Chemistry, Applied
Jia Liu, Juntong Dong, Xiaodan Li, Teng Xu, Zhenguo Li, Jeffrey Dankwa Ampah, Mubasher Ikram, Shihai Zhang, Chao Jin, Zhenlong Geng, Tianyun Sun, Haifeng Liu
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Seba Alareeqi, Daniel Bahamon, Kyriaki Polychronopoulou, Lourdes F. Vega
Summary: This study explores the potential application of single-atom-alloy (SAA) catalysts in bio-oils hydrodeoxygenation refining using density functional theory (DFT) and microkinetic modeling. It establishes the relationships between stability, adsorptive properties, and activity structures for bio-oil derivatives, providing guidance for the synthesis of cost-effective SAA combinations.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Bin Hu, Wen -Ming Zhang, Xue-Wen Guo, Ji Liu, Xiao Yang, Qiang Lu
Summary: This study explored the pyrolysis behaviors and mechanisms of different monosaccharides, including arabinose, galactose, galacturonic acid, and glucuronic acid. The roles of structural differences in these monosaccharides were analyzed, and it was found that glucuronic acid undergoes a special C-C bond breaking reaction during pyrolysis. The findings provide a deep understanding of the pyrolysis chemistry of hemicellulose and the role of different branches.
FUEL PROCESSING TECHNOLOGY
(2024)
Review
Chemistry, Applied
Youwei Zhi, Donghai Xu, Guanyu Jiang, Wanpeng Yang, Zhilin Chen, Peigao Duan, Jie Zhang
Summary: Hydrothermal carbonization (HTC) is an effective method for the harmless disposal of municipal sludge (MS) and offers potential applications for the obtained products. Optimizing reaction conditions, coupling with other waste materials, and combining different processes can improve the performance of HTC. Furthermore, HTC contributes to energy recovery and enhances the quality of life cycle assessment.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Jia Wang, Jianchun Jiang, Dongxian Li, Xianzhi Meng, Arthur J. Ragauskas
Summary: This study presents a scalable process for converting holocellulose and cellulosic wastes into advanced oxygen-containing biofuels with high furan, cyclic ketone, and ethanol content. By combining hydropyrolysis and vapor-phase hydrodeoxygenation using Pd/Al2O3 as a catalyst, the researchers achieved high yields and conversions. The integrated process holds great promise for biomass waste conversion into advanced biofuels.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Florian Held, Jannis Reusch, Steffen Salenbauch, Christian Hasse
Summary: The accurate prediction and assessment of soot emissions in internal combustion engines are crucial for the development of sustainable powertrains. This study presents a detailed quadrature-based method of moments (QMOM) soot model coupled with a state-of-the-art flow solver for the simulation of gasoline engines. The model accurately describes the entire cause-and-effect chain of soot formation, growth and oxidation. Experimental validation and engine cycle simulations are used to identify the root cause of observed soot formation hotspots.
FUEL PROCESSING TECHNOLOGY
(2024)
