Article
Chemistry, Multidisciplinary
Athanasios A. Tountas, Geoffrey A. Ozin, Mohini M. Sain
Summary: This study introduces a tool for investigating potential catalysts for photochemical and thermal heterogeneous methanol synthesis, with a focus on thermal benchmarking using a commercial CZA catalyst. By improving low-temperature methanol yield and reducing equipment costs, more efficient CO2 utilization can be achieved.
Article
Engineering, Environmental
Rei-Yu Chein, Wei-Hsin Chen, Hwai Chyuan Ong, Pau Loke Show, Yashvir Singh
Summary: This study analyzed the methanol synthesis performance using CO2 and syngas as feedstock, finding that increasing reactor diameter can enhance methanol yield but large pressure drops may reduce the yield. Removing water and increasing reaction temperature were found to increase methanol yield and CO2 conversion. Additionally, higher CH4 content in the biogas can lead to higher methanol production and using a higher recycle ratio for unreacted syngas can enhance methanol production.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Luning Chen, Zhiyuan Qi, Xinxing Peng, Jeng-Lung Chen, Chih-Wen Pao, Xibo Zhang, Chaochao Dun, Melissa Young, David Prendergast, Jeffrey J. Urban, Jinghua Guo, Gabor A. Somorjai, Ji Su
Summary: This study demonstrates how the synergy between noble metal single sites and oxygen vacancies enhances hydrogen generation efficiency and CO2 selectivity in methanol steam reforming reactions. It lays the foundation for the rational design of single site catalysts at the atomic scale and the development of highly efficient and selective hydrogen evolution systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Energy & Fuels
Qidong Xu, Meng Ni
Summary: A 2D numerical model was developed to study a tubular direct methanol SOFC, with parameters such as temperature, thickness, and length having significant effects on performance. Increasing temperature enhances cell performance, while other parameters also play important roles in optimizing SOFC performance.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Review
Thermodynamics
Gabriel Garcia, Emmanuel Arriola, Wei-Hsin Chen, Mark Daniel De Luna
Summary: This review discusses various methods of hydrogen production from methanol, with a focus on catalyst development and reactor technology. Copper-based catalysts are popular due to their high activity and selectivity but have stability issues, leading to exploration of other metals like zinc and chromium. Novel reactor structures such as porous copper fiber sintered-felt and membrane reactors have been explored for improved efficiency and energy savings.
Article
Engineering, Environmental
Evangelos Delikonstantis, Panagiotis Vettas, Fabio Cameli, Marco Scapinello, Anton Nikiforov, Guy B. Marin, Kevin M. Van Geem, Georgios D. Stefanidis
Summary: The conversion of CO2 in steel mill off-gases to syngas using nanosecond pulsed discharges at atmospheric pressure is an effective way to reduce the environmental impact of the steelmaking process. Experimental results show that CO2 conversion is affected by H2 excess, interelectrode distance, and specific energy input (SEI). It is recommended to use a stoichiometric H2:CO2 feed ratio for higher energy efficiency.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Energy & Fuels
Jingwen Gong, Fatemeh Sadat-Zebarjad, Kristian Jessen, Theodore Tsotsis
Summary: This is a CO2 capture and utilization technology that converts CO2 into methanol, providing a way to monetize carbon captured. The use of a membrane contactor reactor system allows for higher carbon conversions than equilibrium. Research is ongoing to validate the system's performance.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2023)
Article
Engineering, Chemical
Bruno Lacerda de Oliveira Campos, Karla Herrera Delgado, Stephan Pitter, Joerg Sauer
Summary: In this study, a recently published microkinetic model was used to develop three formal kinetic models for methanol synthesis and water gas shift reaction. These models, with different numbers of parameters, perform equally well or better than literature models under various operating conditions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Review
Chemistry, Physical
Ali M. Bahmanpour, Matteo Signorile, Oliver Kroecher
Summary: The recent progress in catalyst design and understanding of the reaction mechanism for the RWGS reaction has led to the introduction of new promising catalysts, particularly in terms of catalyst stability at high temperatures. However, there is still room for improvement in this area for the conversion of CO2 to fuels.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Energy & Fuels
Julia Kennedy, James Hayward, Philip R. Davies, Michael Bowker
Summary: The study investigated the reforming of methanol and CO on Pd/P25 TiO2 catalysts for hydrogen production and compared their rates with similarly supported Au and Cu catalysts. It found that methanol reforming proceeds at a faster rate than the water-gas shift reaction, while CO2 yields can sometimes be lower than expected. Additionally, the study showed that dissolution of carbon dioxide into the aqueous phase played a role in the observed lower yields.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Physical
Michael Ho Kei Lee, Hang Yin, Wasim Ullah Khan, Frank L. Y. Lam, Yongsik Ok, Matthew J. Watson, Shusheng Pang, Alex C. K. Yip
Summary: This work presents a practical system for simultaneous production and storage of hydrogen through the hydrogenation-coupled water-gas shift reaction (HC-WGSR). Thermodynamic simulation was used to predict the performance of the HC-WGSR system. The study successfully demonstrated a proof-of-concept tandem reaction of water-gas shift and propene hydrogenation using a bifunctional catalyst. The hydrogen produced from the WGSR was effectively stored in propane, overcoming the equilibrium limitation of the WGSR and achieving a high overall CO conversion rate.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Mingfei Lu, Dongsheng Dong, Fuxing Wei, Wuqiang Long, Yongjian Wang, Lixin Cong, Pengbo Dong, Hua Tian, Peng Wang
Summary: Ammonia is considered as an attractive alternative fuel for internal combustion engines, but has issues of high ignition temperature and NOx emissions. Blending ammonia with methanol can solve the problems, but there are few studies on the combustion mechanism of this dual fuel. This paper developed a chemical reaction mechanism for ammonia-methanol blends and studied its effects on combustion and emissions.
Article
Engineering, Chemical
Kristiano Prifti, Andrea Galeazzi, Flavio Manenti
Summary: Plastic waste treatment is crucial for circular economic models and the energy transition, and this work aims to address the lack of chemical valorization methods for low quality plastic waste with high impurity content. The proposed solution involves converting plastic waste to methanol through gasification, with thermodynamic characterization and kinetic modeling used to simulate the process. Different proportions of polystyrene in a polypropylene/polyethylene mixture are tested to evaluate the process behavior for feedstock with low hydrogen content. The performance of the process is assessed for each type of feedstock, and the operational expenditures, net present value, and internal rate of return are calculated for different plant capacities.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Green & Sustainable Science & Technology
L. E. Basini, F. Furesi, M. Baumgaertl, N. Mondelli, G. Pauletto
Summary: This study presents an innovative process scheme for converting CO2 into synthetic methanol, which combines an electrified reactor and a reverse water gas shift reactor, achieving high energy efficiency and process simplification. Negative CO2 emissions can be achieved when CO2 is sourced from a biogas plant and the carbon intensity of the electricity remains below 120 gCO2/kWh.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Physical
Ning Liu, Bili Chen, Kunlong Liu, Ruixuan Qin, Jingjuan Wang, Yazhou Zhang, Qinghua Zhang, Lin Gu, Pengxin Liu, Kecheng Cao, Pu Yan, Gang Fu, Nanfeng Zheng
Summary: Modifying the surface of nickel with silica significantly enhances its catalytic performance for the water-gas shift reaction (WGSR). This study provides valuable insights into the catalytic mechanism between nickel and silica and contributes to the development of high-performance nickel-based catalysts.
Article
Thermodynamics
Jing Li, Bo Sundman, Jozef G. M. Winkelman, Antonis I. Vakis, Francesco Picchioni
FLUID PHASE EQUILIBRIA
(2020)
Article
Chemistry, Multidisciplinary
Homer C. Genuino, Henk H. van de Bovenkamp, Erwin Wilbers, Jozef G. M. Winkelman, Andrey Goryachev, Jan P. Hofmann, Emiel J. M. Hensen, Bert M. Weckhuysen, Pieter C. A. Bruijnincx, Hero J. Heeres
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Thermodynamics
G. H. Graaf, J. G. M. Winkelman
Summary: The chemical equilibrium constants for methanol from CO/H-2 reaction were found to be too high compared to experimental results, leading to a re-evaluation of the entropy and enthalpy of formation values. By analyzing the association behavior of methanol vapor and fitting multiple experimental data sources, more accurate relationships for association equilibrium constants and second virial coefficients were derived. The resulting revised values now align with experimental chemical equilibrium data, supporting the accuracy of the model.
FLUID PHASE EQUILIBRIA
(2021)
Article
Chemistry, Multidisciplinary
Daili Peng, Anne-Jan Kleiweg, Jozef G. M. Winkelman, Zhen Song, Francesco Picchioni
Summary: A hierarchical hybrid method is proposed to screen suitable ionic liquid (IL) solvents for different extractions, combining experimental database, model, and process simulation, with extractive desulfurization (EDS) as a case study for validation.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Ria M. Abdilla-Santes, Jozef G. M. Winkelman, Ilona van Zandvoort, Bert M. Weckhuysen, Pieter C. A. Bruijnincx, Edita Jurak, Peter J. Deuss, Hero J. Heeres
Summary: This study demonstrates the efficient synthesis of 5-hydroxy-2-methylfurfural (HMF) through acid hydrolysis of carbohydrate-containing feeds in a batch reactor setup, with significant impact of impurities in thick juice on reactivity. The presence of sulfate anions was identified as a major factor affecting HMF yield and the time required to reach optimal conditions.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Energy & Fuels
Taina Ohra-Aho, Leon Rohrbach, Jozef G. M. Winkelman, Hero J. Heeres, Atte Mikkelson, Anja Oasmaa, Bert van de Beld, Evert J. Leijenhorst, Hans Heeres
Summary: Fast pyrolysis bio-oil (FPBO), a second-generation liquid bioenergy carrier, is being introduced into the market. Different analytical methods were evaluated for the characterization of acetaldehyde, formaldehyde, and furfural in FPBO. The precision of the methods for acetaldehyde analysis was consistent, while a significant difference was observed for formaldehyde and furfural. More data on method accuracy are needed.
Article
Engineering, Chemical
Angela Martina, Henk H. van de Bovenkamp, Inge W. Noordergraaf, Jozef G. M. Winkelman, Francesco Picchioni, Hero J. Heeres
Summary: This study reports a kinetic study on the conversion of D-galactose to levulinic acid using sulfuric acid as the catalyst. The experimental data and model show good agreement, and the most suitable reactor configuration is determined based on the kinetic information.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Paresh S. Butolia, Xiaoying Xi, Jozef G. M. Winkelman, Marc C. A. Stuart, Matthijs van Akker, Andre Heeres, Hero Jan Heeres, Jingxiu Xie
Summary: Considering the sustainability and environmental benefits of alternative carbon feedstocks, this study investigates the feasibility of using ethene and propene as reactants for the production of BTX. The results show that propene exhibits higher BTX selectivity and slower catalyst deactivation compared to ethene.
CHEMIE INGENIEUR TECHNIK
(2022)
Article
Energy & Fuels
Balaji Sridharan, Homer C. Genuino, Daniela Jardan, Erwin Wilbers, Henk H. van de Bovenkamp, Jozef G. M. Winkelman, Robbie H. Venderbosch, Hero J. Heeres
Summary: The combination of molten salts and pyrolysis is considered a promising route for producing renewable biofuels. By using molten salts to convert woody biomass into liquid hydrocarbon products, researchers have achieved a low oxygen content. The experimental studies showed positive results, indicating the potential of this method.
Article
Chemistry, Analytical
Homer C. Genuino, Ludovico Contucci, Jessi Osorio Velasco, Balaji Sridharan, Erwin Wilbers, Okan Akin, Josef G. M. Winkelman, Robertus H. Venderbosch, Hero J. Heeres
Summary: This study investigated the pyrolysis of LignoBoost lignin in a molten salt solution and found that the presence of salt had a positive influence on the liquid phase yields and composition, with higher levels of depolymerization and selectivity to aromatic and phenolic monomers.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Polymer Science
Paul van den Tempel, Emiel O. van der Boon, Jozef G. M. Winkelman, Antonina V. Krasnikova, Daniele Parisi, Peter J. Deuss, Francesco Picchioni, Ranjita K. Bose
Summary: The furan-maleimide Diels-Alder chemistry is a useful tool for designing thermo-reversible click networks. In this study, a new reaction in furan-maleimide click networks, called the Double-Diels-Alder reaction (DDA), was reported. This reaction forms extra linkages between Diels-Alder adducts and non-reacted furan groups, resulting in stronger materials but reducing thermal recycling efficiency. The study revealed that the DDA reaction can occur in both intramolecular and intermolecular fashion, and it exhibits reversibility like the regular Diels-Alder reaction. The importance of the DDA reaction in furan-maleimide click networks may be easily overlooked, leading to unexpected reactivity in these systems.
Article
Chemistry, Multidisciplinary
Huaizhou Yang, Idoia Hita, Zhiwen Wang, Jozef G. M. Winkelman, Peter J. Deuss, Hero J. Heeres
Summary: This study reports the use of nonprecious metal-based catalysts for the catalytic hydrotreatment of technical lignins to obtain oils enriched in biobased chemicals. The best result was achieved using a monometallic Ni catalyst with an ordered mesoporous alumina support doped with Ti, giving an oil yield of 57 wt% with 10 wt% alkylphenols on lignin intake. It was shown that the mesoporous structure of alumina is crucial for enhanced lignin oil yields.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Chemical
Angela Martina, Gorjan Stojkov, Henk H. van de Bovenkamp, Ting Wang, Peter J. Deuss, Inge W. Noordergraaf, Jozef G. M. Winkelman, Francesco Picchioni, Hero J. Heeres
Summary: This study investigates the conversion of D-AHG, one of the main building blocks of seaweed polysaccharides, to HMF and LA using sulfuric acid as a catalyst in water. The findings indicate that D-AHG is a good precursor for HMF synthesis and the highest yields of HMF and LA were obtained under specific conditions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Zhenlei Zhang, Ciaran W. Lahive, Jozef G. M. Winkelman, Katalin Barta, Peter J. Deuss
Summary: Selective lignin depolymerisation on the prime beta-O-4 motif provides an opportunity to obtain valuable functionalized phenolic monomers. Diol-stabilized acidolysis of lignin with sulfuric acid, triflic acid or triflate salts is a proven beta-O-4 cleavage methodology that forms acetals by trapping of released reactive aldehydes. The study shows that the reaction selectivity can be manipulated by controlling reaction parameters such as temperature, ethylene glycol and water content.
Article
Chemistry, Physical
Leila Negahdar, Xiaoying Xi, Feng Zeng, J. G. M. Winkelman, Hero Jan Heeres, Regina Palkovits
Summary: The study found that the major oxygenated products are linear alcohols up to butanol, while methane is the main hydrocarbon. The higher alcohol products followed an Anderson-Schultz-Flory distribution, with the catalyst suppressing methanol and ethanol formation. The optimal reaction conditions were estimated to be at a temperature of 340 degrees C, pressure of 117 bar, gas hourly space velocity of 27,000 mL g(-1)h(-1), and H-2/CO molar feed ratio of 1.
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
(2021)
