Article
Nanoscience & Nanotechnology
Jixing Liu, Jingyi Zhu, Jie Zhu, Jundong Xu, Hui Liu, Mingqing Hua, Huifang Cheng, Huaming Li, Jian Liu, Wenshuai Zhu, Hongbing Ji
Summary: A hierarchical NiMo/Al2O3 catalyst was successfully fabricated using a 3D printing strategy, which significantly improved the hydrodesulfurization activity in the petrochemical industry.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Energy & Fuels
M. A. Coronel-Garcia, A. I. Reyes de la Torre, J. M. Dominguez-Esquivel, J. A. Melo-Banda, A. L. Martinez-Salazar
Summary: The kinetics of slurry phase heavy oil hydrocracking with nickel nanoparticles dispersed in PEG300 as the catalyst were studied. The reaction rate equation order was determined to be 2.5, and high residue conversion and selectivity towards naphtha were achieved. This study provides valuable insights for improving heavy oil hydrocracking processes.
Article
Energy & Fuels
Ji-Xing Liu, Xiang-Qi Liu, Ri-Xin Yan, Ling-Feng Jia, Hui-Fang Cheng, Hui Liu, Yan Huang, Ming-Qing Hua, Hua-Ming Li, Wen-Shuai Zhu
Summary: In this study, a mesoporous LaAlOx catalyst was designed and constructed through a solvent evaporation-induced self-assembly method. The structure and physicochemical properties of the NiMo supported catalyst were characterized, and its catalytic activity for hydrodesulfurization (HDS) was investigated. The incorporation of La was found to significantly enhance the generation of Type II NiMoS phase, leading to improved HDS performance by promoting sulfidation and modifying the morphology of Ni promoted MoS2 slabs. This finding contributes to the understanding of structure-activity relationships in ultra-deep desulfurization and inspires the development of highly-efficient HDS catalysts in the future.
Article
Engineering, Chemical
Bernadette Worgul, Adriana Freites Aguilera, Camille Vergat-Lemercier, Kari Eranen, Olga Simakova, Hendrik Held, Hannsjorg Freund, Dmitry Yu Murzin, Tapio Salmi
Summary: Arabinonic acid was successfully prepared by oxidizing arabinose on gold nanoparticles deposited on an aluminium oxide carrier. The influence of oxygen partial pressure and pH on reaction rate and product selectivity was investigated. A reaction mechanism was proposed and a kinetic model was developed to describe the experimental data.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Chemical
Rixin Yan, Xiangqi Liu, Jixing Liu, Lu Zhang, Shuhui Zhou, Lingfeng Jia, Mingqing Hua, Huaming Li, Haiyan Ji, Wenshuai Zhu
Summary: A series of mesoporous NiMo/LaAlOx catalysts with different La contents were synthesized using a solvent evaporation-induced self-assembly method. It was found that the incorporation of La affected the electronic structure and morphology of the NiMoS active phase. A lower amount of La resulted in improved catalytic activity by promoting the formation of the Type II NiMoS phase. However, higher La incorporation led to the generation of inactive phases and a decrease in the proportion of the NiMoS active phase.
Article
Chemistry, Physical
Roman Lyubimenko, Oscar I. Gutierrez Cardenas, Andrey Turshatov, Bryce S. Richards, Andrea Schaefer
Summary: The study demonstrates efficient degradation of steroid-hormone micropollutants through a photocatalytic membrane reactor, achieving significant removal of estradiol and estrone at environmentally relevant concentrations. This provides insights into solar-driven photocatalytic water treatment technologies for effective removal of micropollutants.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Engineering, Environmental
Thiago Castanho Pereira, Everton Fernando Zanoelo, Fernando Hermes Passig, Cristina Beninca, Karina Querne de Carvalho
Summary: The kinetic experiments demonstrated that a simple and low-cost electrochemical reacting system with iron electrodes efficiently reduced p-NP to a more environmentally friendly product. The rate limiting step of p-NP reduction was the one-electron transfer reaction at the liquid-cathode interface, with rate constants between 6.03 x 10(-5) and 9.85 x 10(-5) s(-1).
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Energy & Fuels
Zhou Lan, Yangcheng Lu
Summary: This study introduces a tubular reactor with a micromixer to enhance the amination reaction of 4-nitrochlorobenzene in terms of efficiency and reliability. By studying the reaction kinetics and establishing a kinetic model, a self-circulation strategy was proposed to optimize ammonia separation and recovery in a continuous tubular reactor system.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2021)
Article
Engineering, Environmental
Hao Li, Xin Xu, Xue Liu, Zhen Yao, Kun Cao
Summary: The research investigated the kinetics of 1,3-butadiene dimerization under high temperature and high pressure using a microchannel reactor. The study found that the dimerization reaction produced VCH and COD, with COD only forming under high temperature conditions. By fitting experimental data, apparent kinetic parameters for the dimerization under high pressure were obtained, showing that the reaction rate constants in the liquid phase were greater than in the gas phase.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Baldassarre Venezia, Asterios Gavriilidis
Summary: The slurry loop membrane reactor offers a solution for continuous oxidation and hydrogenation, addressing safety concerns associated with the use of oxygen with organic substrates. By circulating the catalyst slurry, it achieves comparable residence time distribution to an ideal continuous stirred tank reactor. This reactor has been tested for continuous aerobic oxidations using a titanium catalyst, and successful scaled-up operations have resulted in high aldehyde yields.
Article
Energy & Fuels
Dandan Hu, Xi Zeng, Fang Wang, Zhennan Han, Fu Ding, Junrong Yue, Guangwen Xu
Summary: A micro spouted bed reactor was designed for real-time analysis of fast reactions such as biomass pyrolysis. It was found that as the pyrolysis temperature increased, the reaction time decreased. The activation energy for the formation of major gas components was higher than those obtained in a micro fluidized bed.
Article
Chemistry, Physical
Jongho Kim, Jianglong Yu, Soonho Lee, Arash Tahmasebi, Chung-Hwan Jeon, John Lucas
Summary: This paper reviews the progress and applications of catalytic hydrogen combustion technology, including catalyst development, reactor types, operating parameters, and reaction mechanisms. Future research directions will focus on further exploring the design of catalytic reactors for CHC.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Environmental
Chengxiang Li, Ji Xu, Tianhao Qiu, Zikang Sun, Haolei Zhang, Wei Ge
Summary: Multi-scale porous structures in catalyst pellets or particles have a significant influence on the performance of chemical processes, but traditional continuum-based models do not accurately describe these structures. A trans-level multi-scale discrete computational framework is proposed to address this complexity and is demonstrated to be necessary and effective for bridging the intrinsic reaction kinetics with the performance of porous catalytic reactors. The method combines hard-sphere pseudo-particle modeling at the representative elementary volume (REV) scale with computational fluid dynamics/discrete element method (CFD-DEM) for reactor-level hydrodynamics. Experimental results show good agreement with the method's predictions, while a continuum approach may give significantly different and unreasonable results.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Agricultural Engineering
S. Y. Huang, C. Y. Chen, W. Y. Hsu, A. N. Huang, H. P. Kuo
Summary: The Eulerian multiphase approach is used to investigate a rice husk fluidized bed pyrolyzer with a minimum fluidization velocity of 0.1 m/s. A four-phase modeling is adopted to account for the different hydrodynamic behavior of freshly fed biomass and pyrolyzed product char. The results show the independent motion of the char phase and the lowest position that light char can reach is determined by the biomass entrance position. Computational economic global kinetic model provides good char yield prediction at a fluidizing velocity of 0.3 m/s, with a deviation of 0.27% from experimental result.
BIOMASS & BIOENERGY
(2023)
Article
Chemistry, Multidisciplinary
Andreas Krammer, Martin Peham, Markus Lehner
Summary: This paper presents a heterogeneous 2D model for a polytropic fixed bed methanation reactor used in Co-SOEC syngas. The model was validated through lab-scale experiments with variations in gas hourly space velocity (GHSV) and pressure. The results showed good agreement between the model and experiments, indicating the effectiveness of the model in simulating Co-SOEC syngas methanation. The established model allows for a comprehensive analysis of mass diffusion, reaction heat removal, kinetics, and thermodynamics, which is crucial for developing highly efficient methanation reactor systems.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Chemistry, Physical
Boyang Liu, Ning Huang, Yu Wang, Xiaocheng Lan, Tiefeng Wang
Summary: Rh-based homogeneous catalyst Rh2P with phosphine ligands shows significantly enhanced styrene hydroformylation activity compared to Rh, achieved by separating surface Rh atoms and promoting electron transfer to positively charged surface Rh atoms, leading to higher dispersion and changing the rate-determining step. The successful synthesis and characterizations prove the bifunctional promotion effect of P and the improved hydroformylation activity.
Article
Chemistry, Physical
Yu Wang, Boyang Liu, Xiaocheng Lan, Tiefeng Wang
Summary: In this study, a novel Ni3ZnC0.7/C catalyst was designed and synthesized to enhance the ethylene selectivity in acetylene semihydrogenation. The results demonstrated that incorporating carbon atoms in subsurface sites significantly improved the selectivity of ethylene while controlling the selectivity of green oil.
Article
Chemistry, Physical
Boyang Liu, Yu Wang, Ning Huang, Xiaocheng Lan, Tiefeng Wang
Summary: Doping Co into Rh2P catalyst improved the activity of styrene hydroformylation reaction, showing a volcano relationship with the Co ratio. The addition of Co tuned the electronic environment of surface Rh atoms, significantly impacting the reaction activity.
Article
Chemistry, Physical
Shi-Yong Xing, Kai-Kai Liu, Tie-Feng Wang, Ming-Han Han
Summary: The study investigated the alkylation of benzene with ethene over different zeolites using DFT calculations, revealing the concerted mechanism as kinetically favored among H-BEA, H-ZSM-5 and H-MOR. Temperature has a more significant impact on activity than pressure, with the entropy part dominating the variation in reaction rates at different temperatures. Tailoring the zeolite structure could improve reaction activity, with H-BEA showing higher activity under both mechanisms due to its large three-dimensional framework. Charge transfer occurs via the zeolite's acidic proton, with the transition state's charge variation proportional to the corresponding energy barrier.
MOLECULAR CATALYSIS
(2021)
Article
Chemistry, Physical
Ning Huang, Boyang Liu, Xiaocheng Lan, Binhang Yan, Tiefeng Wang
Summary: In this study, the introduction of dpp* ligands into Rh/SiO2 was found to enhance catalytic activity and oxygenate selectivity in ethene gaseous hydroformylation reaction. Among the investigated ligands, L5 and L6 showed the best performance. CO cutoff transient experiments helped in identifying the rate-limiting step, and a mechanism for the change in RLS over phosphine modified catalysts was proposed. The relationship between electronic state and catalytic activity of the catalyst was verified through in situ FTIR results.
MOLECULAR CATALYSIS
(2021)
Article
Engineering, Chemical
Huahai Zhang, Yuelin Wang, Ali Sayyar, Tiefeng Wang
Summary: In this study, the breakup behavior of a single bubble in a stirred tank was experimentally investigated using a high-speed camera. The results showed that gas density, liquid properties, agitation speed, and mother bubble size significantly influenced the bubble breakup behavior.
Article
Engineering, Chemical
Huahai Zhang, Yuelin Wang, Ali Sayyar, Tiefeng Wang
Summary: In this study, a bubble breakup model considering the effect of liquid viscosity was extended to the entire turbulent spectrum. The effect of turbulent energy spectrum on bubble breakup and hydrodynamic behaviors in a bubble column under different liquid viscosities was investigated.
Article
Chemistry, Physical
Shiqing Wang, Xiaocheng Lan, Boyang Liu, Babar Ali, Tiefeng Wang
Summary: This study explored the catalytic synthesis of 1-octylamine using NixFe1/Al2O3 catalyst. Optimizing the Fe/Ni ratio increased the amination activity and selectivity to 1-octylamine. The catalyst, modified with a combination of NiFe alloy and Ni-FeOx interface, exhibited excellent performance.
Article
Engineering, Chemical
Fang Liu, Ran Wei, Tiefeng Wang
Summary: The effects of water and methanol on the synthesis of polyoxymethylene dimethyl ethers (PODEn) were studied, and it was found that both significantly decreased the yield of the products. It is suggested that water and methanol should be removed from the recycling stream in an industrial plant to enhance the efficiency of the reactor.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Chemical
Li Peilong, Hou Ruijun, Zhang Chenxi, Wang Tiefeng
Summary: A conical gas distributor with central and auxiliary inlets was designed to improve fluidization quality in a spouted bed reactor for polysilicon production. The effects of gas velocities on solid holdup were studied, and the hydrodynamic behaviors inside the distributor were analyzed using pressure fluctuation and gas tracing methods. Results showed that the auxiliary gas feed redistributed solid particles, improving fluidization quality and suppressing dead zone phenomenon, providing guidance for reactor design.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Boyang Liu, Ning Huang, Yu Wang, Xiaocheng Lan, Tiefeng Wang
Summary: In this study, a screening strategy was proposed to find a new highly active Rh-based bimetallic phosphide catalyst, Rh7Pd1P4, which was confirmed to be more active in styrene hydroformylation compared to other phosphide catalysts. A two-parameter kinetics model was used to analyze the reaction, showing better consistency with experimental data than traditional first-order or zero-order models. By changing reaction pressure, the rate-determining step (RDS) could be identified in experiments, and the RDS identified in experiments matched well with DFT calculations, validating the accuracy of the kinetic model.
Article
Engineering, Chemical
Yuelin Wang, Huahai Zhang, Tiefeng Wang
Summary: In this study, an improved model of film drainage was proposed by modifying the simplified Young-Laplace equation and the initial shape of the liquid film. This improvement successfully avoided the unphysical sharp increase of shear stress at the boundary of the computational domain, which is critical for extending the SRYL model to complex systems.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Yafei Li, Xiaocheng Lan, Boyang Liu, Tiefeng Wang
Summary: A stable and highly efficient supported Cu-Ni catalyst was developed for the conversion of ethyl levulinate (EL) to gamma-valerolactone (GVL). The catalyst showed the highest activity when supported on Al2O3, and the solvent had a significant influence on the reaction equilibrium and catalyst stability. By optimizing the conditions, CuNi/Al2O3 catalyst achieved high conversion and selectivity in n-hexane solvent.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Chemistry, Applied
Zhenhua Xie, Elaine Gomez, Dong Wang, Ji Hoon Lee, Tiefeng Wang, Jingguang G. Chen
Summary: The study demonstrated the promising performance of Fe/ZSM-5 catalysts in the simultaneous reduction of CO2 and aromatization of ethane. Characterization techniques such as XRD and XAFS were employed to analyze the catalyst species distribution and structure properties, while transient studies revealed the impact of CO2 and steam on catalyst activity.
JOURNAL OF ENERGY CHEMISTRY
(2022)
Article
Chemistry, Physical
Shiyong Xing, Kaikai Liu, Tiefeng Wang, Rufan Zhang, Minghan Han
Summary: The study on the alkylation of benzene with propylene using different zeolite catalysts shows that the concerted mechanism is more favorable for the reaction, with temperature having a greater impact on activity. The activity differences among the three zeolites are mainly attributed to the different co-adsorption configurations of benzene and propylene.
CATALYSIS SCIENCE & TECHNOLOGY
(2021)
Article
Engineering, Chemical
Qing Han, Mengqing Shi, Linkai Han, Di Liu, Mingwei Tong, Yuxin Xie, Zhonghua Xiang
Summary: Developing highly efficient bifunctional oxygen electrocatalysts is crucial for zinc-air flow batteries. Metal-organic frameworks (MOFs) and covalent organic polymers (COPs) have emerged as promising alternatives due to their designable and controllable atomic-level structures. However, their catalytic performances are limited by conductivity and catalytic activity. In this study, nanosheet FeNi-MOF and iron phthalocyanine rich COP hybrid materials are assembled through the pi-pi stacking effect to create highly efficient bifunctional electrocatalysts. The resulting catalyst exhibits superior catalytic performance and stability, making it a promising candidate for zinc-air flow batteries.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Mohammed Al-Sharabi, Daniel Markl, Vincenzino Vivacqua, Prince Bawuah, Natalie Maclean, Andrew P. E. York, Axel Zeitler
Summary: This study used terahertz pulsed imaging to investigate the transport process of different solvents into ceramic catalytic materials. The results showed that the heating rate of the samples influenced the water transport rate, while the viscosity of 1-octanol slowed down its transport.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chukwunonso Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
Summary: This study aimed to enhance understanding of settling dynamics in viscoelastic fluids by developing a semi-empirical correlation and a dimensionless ratio, which accurately described the characteristics of settling suspensions.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Antti I. Koponen, Janika Viitala, Atsushi Tanaka, Baranivignesh Prakash, Olli-Ville Laukkanen, Ari Jasberg
Summary: This study focuses on the development of foam application chemicals for the paper and board industry. The research explores the rheology of the polyvinyl alcohol foam used in the process. Measurements were conducted to determine the foam viscosity and slip flow. The results suggest that slip flow contributes significantly to the total flow rate, and the obtained viscosity and slip models provide a solid foundation for industrial processes.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Dalei Sun, Jinghui Cai, Yating Yang, Zhiwu Liang
Summary: In this study, Fe-doped alpha-Bi2O3 catalysts with different Fe/Bi molar ratios were synthesized and utilized in the carbonylation of isobutyl amine with CO2. The results showed that Fe doping significantly enhanced the catalytic abilities of alpha-Bi2O3.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Yuan Tian, Xinxin Wang, Yanrong Liu, Wenping Hu
Summary: This paper predicts the solubility of nitrogen gas in ionic liquids (ILs) using two quantitative structure-property relationship (QSPR) models. By combining machine learning methods and ionic fragments contribution method, the accuracy and reliability of the prediction models are improved.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Liwang Wang, Wei Liu, Pan Yang, Yulong Chang, Xiaoxu Duan, Lingyu Xiao, Yaoming Hu, Jiwei Wu, Liang Ma, Hualin Wang
Summary: This study investigates the effective phase interfacial area (ae) of hydro-jet cyclones at different injection angles. The results show that a 45 degrees upward incidence angle yields the most favorable flow field characteristics for efficient mass transfer. The significant enhancement in ae of the hydro-jet cyclones offers the advantage of reducing equipment volume and cost savings.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chuanjun Wu, Jiangzhi Chen, Jiyue Sun, I-Ming Chou, Shenghua Mei, Juezhi Lin, Lei Jiang
Summary: In this study, the solubility of H2S hydrate in water was measured using Raman spectroscopy. The results showed that the solubility increases with temperature under certain equilibrium conditions, and the solubility also depends on pressure and temperature under different equilibrium conditions. A thermodynamic model based on the van der Waals-Platteeuw theory was developed to predict the solubility, demonstrating its accuracy.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Lorenzo Brivio, Serena Meini, Mattia Sponchioni, Davide Moscatelli
Summary: This study investigates the influence of three main parameters and proposes a kinetic model to predict the optimal operating conditions for high yield of dimethyl terephthalate (DMT) in the chemical recycling process of polyethylene terephthalate (PET).
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Hongju Lin, Fanhui Liao, Yanchang Chu, Mingyu Xie, Lun Pan, Yuanyuan Wang, Lijian Leng, Donghai Xu, Le Yang, Gangfeng Ouyang
Summary: A honeycomb NiCo/C-Na catalyst with a micro-meso-macroporous structure has been fabricated and shown to have significantly higher catalytic activity for the decarboxylation of fatty acids. It also proves to be efficient in upgrading sludge HTL bio-crude, resulting in a biofuel with decreased viscosity and increased density.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Xiaoxian Li, Rui Li, Min Lin, Mingde Yang, Yulong Wu
Summary: A series of coated non-noble metal porous carbon catalysts were synthesized and applied to the aqueous-phase deoxygenation of algal bio-oil. One of the catalysts showed excellent deoxygenation selectivity and catalytic activity at 250 degrees C. The catalyst exhibited good hydrothermal stability and the reaction mechanism was proposed based on product analysis and active site analysis.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
M. V. Chudakova, M. V. Popov, P. A. Korovchenko, E. O. Pentsak, A. R. Latypova, P. B. Kurmashov, A. A. Pimenov, E. A. Tsilimbaeva, I. S. Levin, A. G. Bannov, A. V. Kleymenov
Summary: A series of catalysts with different potassium contents were prepared using solution combustion synthesis and characterized using various techniques. The results showed that the potassium content affected the phase composition and texture of the catalysts. The addition of a small amount of potassium resulted in a change in particle size distribution, leading to higher hydrogen yield. The Ni-1%K2O/Al2O3 catalyst exhibited the highest hydrogen yield at temperatures of 675 and 750 degrees Celsius.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Aliakbar Roosta, Nima Rezaei
Summary: In this study, we modified the electrolyte cubic plus association equation of state (e-CPA EoS) and integrated it with two electrical conductivity models to estimate the electrical conductivity of 11 monovalent electrolyte solutions in water. The modified e-CPA model demonstrated better performance and the hybridization with electrical conductivity models resulted in two predictive models for estimating the electrical conduction of dilute and concentrated electrolyte solutions. These predictive models showed relative average percentage deviations (AARD) of 11.15% and 13.87% over wide ranges of temperature and electrolyte concentration.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Haoren Niu, Jianzheng Wang, Qingzhu Jia, Qiang Wang, Jin Zhao, Fangyou Yan
Summary: A study developed two quantitative structure-property relationship models for the complexation performance of alpha- and beta-cyclodextrins and validated their stability and predictive ability through internal and external validation. The models showed robustness and satisfactory performance, as demonstrated by the experimental results and model validations. These models can effectively predict the binding constants between cyclodextrins and various types of molecules, providing valuable tools for cyclodextrin design.
CHEMICAL ENGINEERING SCIENCE
(2024)
