Article
Chemistry, Physical
Kevin H. R. Rouwenhorstm, Leon Lefferts
Summary: The reaction mechanism of plasma-catalytic ammonia synthesis is not fully understood. MgO supported Ru, Co, Pt, Pd, Cu and Ag catalysts were tested in a DBD plasma. Ammonia production in the presence of plasma and a catalyst can be categorized into temperature-independent plasma-based synthesis and temperature-dependent plasma-catalytic synthesis. The results suggest that the rate-determining step for plasma-catalytic synthesis on Ru/MgO, Co/MgO, Pt/MgO, Pd/MgO, and Cu/MgO catalysts is the Eley-Rideal reaction between plasma-generated N radicals and chemisorbed H atoms, with apparent activation barriers in the range of 18-24 kJ mol(-1).
Article
Chemistry, Multidisciplinary
Yannick Engelmann, Kevin van 't Veer, Yury Gorbanev, Erik Cornelis Neyts, William F. Schneider, Annemie Bogaerts
Summary: The study uses microkinetic models to investigate the impact of different plasma conditions and transition metal catalysts on the NH3 synthesis process. Vibrational distribution functions, radical reactions, and transition metal types all affect the NH3 turnover frequencies (TOFs). The results show that the NH3 TOFs vary depending on the population of vibrational levels of N-2, and at higher concentrations of plasma-generated radicals, the dependence on catalyst material decreases.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Yan Zhao, Rong Chen, Dong Yue, Liangying Wen, Shengfu Zhang, Zhongqing Yang
Summary: The co-adsorption models of H2O and CO2 molecules on the CaCl2(110) surface were investigated using the first-principles method. The reaction mechanism of H2O and CO2 molecules on this surface was revealed by analyzing the adsorption structures, electron distribution, density of states, and reaction pathways. The results showed that the Ca-5c atom had a more active adsorption site for H2O compared to Ca-6c. The co-adsorption of H2O and CO2 followed the Langmuir-Hinshelwood mechanism and resulted in lower adsorption energies (-0.903 eV for H2O and -1.284 eV for CO2) compared to single H2O adsorption. The dissociation of H2O was facilitated in the presence of co-adsorbed CO2, leading to the formation of HCl and HCO3- complex.
NEW JOURNAL OF CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Aleksa Kojcnovic, Blaz Likozar, Miha Grilc
Summary: This review article focuses on the heterogeneous catalytic conversion of carbon dioxide (CO2) to various compounds. It discusses the formation of alkyl carbonates, cyclic carbonates, carbamates, and carboxylic acids through carboxylation reactions. The article provides detailed elaboration on reaction conditions, catalysts, activity/selectivity, and comparison of results obtained from recent publications.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Chemistry, Multidisciplinary
Hassan Keypour, Jamal Kouhdareh, Khadijeh Rabiei, Idris Karakaya, Rahman Karimi-Nami, Sedigheh Alavinia
Summary: A new catalytic nanocomposite [Co(BDC-NH2)-Pd NPs] composed of a Co(BDC-NH2) MOF has been developed. The nanocatalyst showed efficient dye reduction activity and good recyclability.
NANOSCALE ADVANCES
(2023)
Article
Energy & Fuels
Haoyun Liu, Zhen Zhang, Qi Yuan, Yaming Zhou, Jing Liu, Hongmin Yang
Summary: Single-atom catalysts (SACs) have high potential in heterogeneous catalytic processes due to their high atomic utilization efficiency and controllable active sites. This study focuses on the design and investigation of single transition metal atom doped h-BN vacancy catalysts for the cost-effective Hg-0 oxidation by O-2. The results show that Fe/V-B-BN catalyst exhibits excellent affinity to Hg-0 and follows the Eley-Rideal mechanism for the oxidation process. The outcomes demonstrate that Fe/V-B-BN catalyst is a promising candidate for cleaner coalfired power plant operations.
Review
Chemistry, Multidisciplinary
Ana Sousa-Castillo, Andrea Marino-Lopez, Begona Puertolas, Miguel A. Correa-Duarte
Summary: Bioorthogonal chemistry has provided a powerful tool for performing biocompatible chemospecific reactions in living systems, particularly in the areas of genetic encoding systems, bioimaging, and cancer therapy. This Minireview focuses on recent advances in the use of heterogeneous catalysts for bioorthogonal reactions, discussing the synthetic strategies of Pd-, Au-, and Cu-based materials, their applications in activating caged fluorophores and prodrugs, and the potential of using external stimuli for targeted drug release in diseased tissues. The review also highlights future directions and challenges in this emerging field.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Energy & Fuels
Huimin Liu, Xiaoxu Gao, Dongchen Shi, Dehua He, Qingrun Meng, Ping Qi, Qijian Zhang
Summary: Converting greenhouse gas CO2 into chemical fuels through photocatalytic and photothermal processes shows promise in combating global warming, with the latter offering higher efficiency. Research on photothermal catalysis, combining the benefits of photocatalysis and traditional catalysis, is actively being pursued for CO2 conversion with potential for significant advancements in the field.
Review
Biochemistry & Molecular Biology
Francisco G. Cirujano, Rafael Luque, Amarajothi Dhakshinamoorthy
Summary: Metal-organic frameworks (MOFs) have become versatile solid materials used in various applications like gas storage, separation, sensors, and catalysis. This review focuses on the use of MOFs as solid catalysts for the Henry reaction, discussing their structural properties and active sites. Comparisons with other solid catalysts in terms of activity and structural stability are made, along with suggestions for future directions in this field.
Article
Chemistry, Multidisciplinary
Linlin Chen, Shijian Lu, Lei Zhang, Chunjin Zhang, Ling Liu, Guojun Kang, Hua Tang, Siming Chen
Summary: Using three different compositions of fly ash as catalysts, this study demonstrated excellent catalytic performance in the MEA-CO2 absorption-desorption process, indicating its potential for reducing energy consumption and improving CO2 absorption efficiency in CO2 separation.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Thermodynamics
Anyao Jiao, Zining Zhou, Xiuchao Yang, Hongtao Xu, Feng Liu, Xiaowei Liao, Jiaxun Liu, Xiumin Jiang
Summary: This study investigates the mechanism of NO reduction by NH3 and char at high temperatures, revealing that the presence of O2 inhibits the reduction efficiency. The E-R mechanism is found to govern the NH3-NO reactions, reducing barriers by up to 14.5%. The temperature increase leads to an increase in energy barriers and a decrease in reaction rates.
Article
Chemistry, Physical
Jeffrey C. Gee, Karen W. Fulbright
Summary: The study identified the best mechanism for the direct esterification reaction as the Eley-Rideal mechanism and revealed the optimal adsorption coefficients for reactants on the surface. Additionally, it was found that adsorption and desorption rates sometimes compete with the surface reaction rate, and heptanoic acid rapidly equilibrates between monomer and dimer forms.
REACTION KINETICS MECHANISMS AND CATALYSIS
(2021)
Article
Chemistry, Physical
Sajjad Hussain, Shamraiz Hussain Talib, Shafqat Rasool Shahzad, Shabbir Muhammad, Sharmarke Mohamed, Ahsanulhaq Qurashi, Haiyan Wang, Zhansheng Lu
Summary: This study explores the catalytic mechanisms, micro-kinetic, and thermodynamics of Phosphomolybdic acid supported non-noble metal single-atom catalysts for carbon monoxide oxidation. The results demonstrate the excellent ability of Co1/P1Mo12O40 to adsorb CO and O2 molecules, leading to significant charge transfer and CO2 production. The TER mechanism is identified as the most promising reaction pathway, with a lower energy barrier compared to other materials. These findings provide valuable insights for the development of cost-effective and efficient non-noble metal SACs for CO oxidation.
MOLECULAR CATALYSIS
(2023)
Review
Chemistry, Physical
Riccardo Giovanelli, Giulio Bertuzzi, Marco Bandini
Summary: The utilization of CO2 as an efficient and environmentally friendly chemical analogue of CO is becoming a solid reality in the chemical scenario. CO2-based carbonylations have started paralleling the more consolidated carboxylation procedures, opening new horizons and perspectives in the utilization of carbon dioxide as an organic C1-containing building block. The advent of efficient and site-selective metal-catalyzed protocols for the fixation of CO2 into organic scaffolds, under controlled reductive conditions, contributed substantially to the development of robust, efficient, and convenient protocols. In the present Review article, a collection of the most recent examples of metal-catalyzed CO2-based carbonylations is documented with a particular emphasis on mechanistic aspects.
Article
Engineering, Chemical
Fariba Zarei, Peyman Keshavarz
Summary: For the first time, amino acid groups were added to Fe3O4 nanoparticles to enhance CO2 absorption and desorption. The modified nanoparticles showed higher stability and presence of amino groups, resulting in increased CO2 absorption capacity. Moreover, Fe3O4@arginine, Fe3O4@histidine, and Fe3O4@glycine nanofluids significantly improved CO2 desorption enhancement.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Huancong Shi, Junxing Fu, Qiming Wu, Min Huang, Linhua Jiang, Mingqi Cui, Raphael Idem, Paitoon Tontiwachwuthikul
SEPARATION AND PURIFICATION TECHNOLOGY
(2020)
Article
Engineering, Chemical
Huancong Shi, Xuan Yang, Hongliang Feng, Junxing Fu, Ting Zou, Jiayue Yao, Zimeng Wang, Linhua Jiang, Paitoon Tontiwachwuthikul
Summary: The study investigated the reduction of energy penalty in the CO2 desorption process of amine-based CO2 capture technology by using a combination of coordinative effect and heterogeneous catalysis. Results showed that the combination of specific concentrations of tri-solvents with catalysts can significantly improve the absorption and desorption efficiency of CO2.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Green & Sustainable Science & Technology
Huancong Shi, Mingqi Cui, Junxing Fu, Wenhao Dai, Min Huang, Jinjin Han, Luoqiu Quan, Paitoon Tontiwachwuthikul, Zhiwu Liang
Summary: The study discovered a "coordinative effect" in MEA and RR?NH solvents, which can enhance CO2 absorption and desorption efficiency. The results indicated that MEA + BEA + AMP solvents performed better in both CO2 absorption and desorption than BEA + AMP, contrary to the conventional concept that MEA deteriorates desorption.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Energy & Fuels
Tianci Li, Puttipong Tantikhajorngosol, Congning Yang, Paitoon Tontiwachwuthikul
Summary: This research investigated CO2 solubility in aqueous blended amine solvents and developed two neural network models for predicting CO2 solubility in different blended amine solvents. The results indicate that neural network modeling provided predictions closer to experimental results compared to other models when predicting CO2 solubility in blended amine solvents.
GREENHOUSE GASES-SCIENCE AND TECHNOLOGY
(2021)
Review
Green & Sustainable Science & Technology
Liu Helei, Puttipong Tantikhajorngosol, Christine Chan, Paitoon Tontiwachwuthikul
Summary: The paper provides a comprehensive summary of research conducted from 2015 to 2020 in the field of solvent development for post-combustion carbon dioxide capture, covering areas such as solvent chemistry, development of amine solvents, novel regeneration processes, and applications of artificial intelligence technologies.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Energy & Fuels
Yue Xin, Ke Wang, Yindi Zhang, Fanjin Zeng, Xiang He, Shadrack Adjei Takyi, Paitoon Tontiwachwuthikul
Summary: This study investigates the impact of hydrogen mixed natural gas combustion on gas boilers through numerical simulation and experimentation. The results show that hydrogen mixing can increase combustion temperature, accelerate combustion rate, reduce CO2 emission, increase water vapor generation, and inhibit the generation of NOx and soot.
Article
Thermodynamics
Yue Xin, Yindi Zhang, Peng Xue, Ke Wang, Emmanuel Adu, Paitoon Tontiwachwuthikul
Summary: This paper discusses the importance of compression and liquefaction of CO2 in CCUS projects, and proposes a new process scheme of using LNG cold energy for CO2 pipeline transportation. By comparing energy consumption and economic factors, the advantages of the new technology are identified, and recommendations for the economic feasibility of the new process application are provided.
Article
Energy & Fuels
Rattanaporn Apaiyakul, Pipat Na Ranong, Thanthip Kiattinirachara, Pattaraporn Posoknistakul, Pet Pakchotanon, Ratana Jiraratananon, Paitoon Tontiwachwuthikul, Teerawat Sema
Summary: The study found that the density and viscosity of the novel blended PZ-MPDL solvent increased with higher PZ concentration ratio, and decreased with temperature. On the other hand, the physical diffusivity of CO2 decreased with higher PZ concentration ratio, and increased with temperature. Increasing the PZ concentration ratio was shown to improve the CO2 absorption capacity of PZ-MPDL.
Article
Chemistry, Multidisciplinary
Prathana Nimmanterdwong, Rachaneeporn Changpun, Patipon Janthboon, Sukanya Nakrak, Hongxia Gao, Zhiwu Liang, Paitoon Tontiwachwuthikul, Teerawat Sema
Summary: The study successfully predicted the impact of various absorbents on the solubility of hydrogen sulfide using artificial neural networks, and found that the number of hidden neurons and prediction algorithms have an effect on the prediction results. The experimental results showed that the LM-ANN model performed best in terms of prediction performance.
Article
Engineering, Chemical
Helei Liu, Xiaotong Jiang, Raphael Idem, Shoulong Dong, Paitoon Tontiwachwuthikul
Summary: This work investigates the thermophysical properties of pure 1-dimethylamino-2-propanol (1DMA2P) and its aqueous solutions with CO2 loading. The density, viscosity, and specific heat capacity were measured over a range of concentrations and temperatures. Both empirical models and artificial neural network (ANN) models were used to correlate the experimental results, with the ANN models showing better prediction accuracy. This study provides a potential method for predicting the physical properties of aqueous amine CO2 absorption systems.
Article
Engineering, Chemical
Helei Liu, Xiaotong Jiang, Raphael Idem, Shoulong Dong, Paitoon Tontiwachwuthikul
Summary: In this study, the kinetics of CO2 absorption in 1DMA2P solution were experimentally measured and a numerical kinetics model was developed. The model was validated by comparing with experimental data and showed a good agreement. The study provides an effective criterion for solvent screening.
Article
Engineering, Chemical
Yihan Yin, Zhiyong Cao, Hongxia Gao, Teerawat Sema, Yanqing Na, Min Xiao, Zhiwu Liang, Paitoon Tontiwachwuthikul
Summary: A poly(tetrafluoroethylene) hollow-fiber membrane contactor was used to absorb CO2 in tertiary amine solutions. The study investigated several influential factors and established a mathematical model to calculate CO2 mass transfer flux and concentration distribution. It was found that partially wetted membrane significantly reduced mass transfer, but the predicted values agreed well with experimental results. In addition, an equation for predicting mass transfer coefficients and flux was developed, showing good agreement with experimental values.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Helei Liu, Veronica K. H. Chan, Puttipong Tantikhajorngosol, Tianci Li, Shoulong Dong, Christine Chan, Paitoon Tontiwachwuthikul
Summary: New artificial neural network (ANN) models and an XGBoost machine learning model were developed to predict the CO2 solubility in three tertiary amines. The XGBoost model showed better accuracy in predicting the CO2 solubility compared to the ANN models. This has potential significance for estimating CO2 solubility in amine solutions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Congning Yang, Tianci Li, Puttipong Tantikhajorngosol, Teerawat Sema, Min Xiao, Paitoon Tontiwachwuthikul
Summary: Novel aqueous piperazine-based physical-chemical solutions were investigated as liquid-liquid biphasic solvents for energy-efficient CO2 capture. Piperazine and 1-(2-aminoethyl) piperazine showed promising performance in terms of absorption and desorption rates and CO2 absorption capacity. The optimal choice was aqueous 2.5 M piperazine + 2.5 M sulfolane, which exhibited good phase separation and superior absorption and desorption properties compared to a single solvent.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Helei Liu, Veronica K. H. Chan, Puttipong Tantikhajorngosol, Tianci Li, Shoulong Dong, Christine Chan, Paitoon Tontiwachwuthikul
Summary: New ANN models were developed to predict CO2 solubility in three tertiary amines, and a comparison showed that the XGBoost model exhibited better performance in predicting the solubility of CO2 in all three amines.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)