Article
Chemistry, Physical
Huifang Feng, Yifei Ren, Chao Fan, Libo Lu, Wenwen Wei, Hui Jin, Liejin Guo
Summary: Regulation study on coal gasification process in supercritical water (SCW) can promote hydrogen production and upgrading of coal utilization. This study investigated the regulation mechanism of liquid organics on coal gasification in SCW using ReaxFF molecular dynamics simulation. Phenols were found to have a positive effect, increasing H-2 number by 34%. The study also explored the intermolecular interaction and reactive sites, finding that E-vdWaals is the main driving force. Experimental results validated the feasibility and guidance value of the study.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Lei Yi, Le Wang, Liejin Guo, Hui Jin, Wen Cao, Jialing Xu, Wenwen Wei
Summary: Supercritical water gasification technology has been proven to be an effective method for resource utilization and harmless treatment. Atomistic simulation was used to supplement previous experiments in understanding the gasification mechanism of UDMH in supercritical water, revealing that high temperature favors carbon-nitrogen bond breaking while low temperature favors nitrogen-nitrogen bond breaking, impacting product distribution.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Analytical
Jian Chen, Xiong Pan, Hanqing Li, Hanhui Jin, Jianren Fan
Summary: The study investigates the micro-scale dynamics and kinetic reaction mechanism of supercritical water oxidation (SCWO) of a coal particle using the ReaxFF method for the first time. The results show that SCWO is not simply gasification plus combustion, with the direct combustion of coal weakened due to the presence of water. Instead, oxidation reactions between water or H radicals and oxygen, generating OH, play an important role in coal conversion. This process exhibits characteristics of both combustion and gasification, with water molecules acting as a catalyst to facilitate the transformation of coal. Additionally, the study identifies N2 and NO as extra products in SCWO compared to supercritical water gasification, with N-containing products CN, CHN, and CHON dominating before conversion to N2 and NO. Overall, the research sheds light on the oxidation mechanism of coal particles and demonstrates that SCWO can effectively reduce pollution emissions compared to conventional coal-fired methods.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Chemistry, Physical
Houjun Zhang, Fang Chen, Jinli Zhang, You Han
Summary: The study revealed that the oxidation state of iron in Fe catalysts affects the degradation rate of lignin and the production of gas products during SCWG, with lower oxidation state beneficial for CO production and higher oxidation state favoring CO2 generation. Furthermore, Fe catalysts have a unique advantage in catalytic hydrogen production.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Environmental
Jia-hao Wang, Xian-jie Zhang, Qian Xia, Shui Yang Fang, An-fu Hu, Jun Wen, Sheng-jun Zhou, Wen-xian Chen, Gui-lin Zhuang
Summary: Understanding the role of glycerol additive in improving energy recovery during tobacco-waste pyrolysis is crucial. Through ReaxFF-based molecular dynamic simulation, we systematically studied the pyrolysis mechanism of tobacco with different concentrations of glycerol and temperatures. The results showed that 2000K is the optimal temperature for producing methanol and ethanol, and the concentration of glycerol significantly promotes methanol production at high temperatures. A pyrolysis reaction framework was established, and its main formation reactions were validated.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Energy & Fuels
Haihui Xin, Banghao Zhou, Wenjiang Tian, Xu-yao Qi, Mo Zheng, Wei Lu, He Yang, Xiaoxing Zhong, Deming Wang
Summary: This study reveals the pyrolysis mechanism of LHG coal from Zhundong coalfield by constructing models and calculating the pyrolysis process. The research findings are of great significance for guiding the control and transformation of coal fire.
Article
Thermodynamics
Zhao Lei, Qijun Liang, Qiang Ling, Ping Cui, Zhigang Zhao
Summary: The generation mechanism of light tar during Shenfu bituminous coal pyrolysis was investigated using a combination of TGA, Py-GC/MS, TGA-FTIR, and ReaxFF simulations. The study showed that the pyrolysis process involved activation, pyrolysis, and condensation stages, with the initiation of coal pyrolysis attributed to the cleavage of oxygen-containing groups. The reaction mechanism of light tar was identified as free radical addition reaction, primarily deriving free radicals from the cleavage of C-O chemical bonds.
Article
Chemistry, Analytical
Bang Wu, Xin Guo, Bo Liu, Zimeng Liu
Summary: The hydrogen migration and redistribution features in products during co-pyrolysis of coal and polystyrene were explored using reactive molecular dynamics simulations. The simulations agreed well with experimental data and identified the hydrogen transfer routes and synergy mechanisms. The results showed that the co-pyrolysis promoted char conversion to volatiles, with the effect diminishing as the proportion of polystyrene increased. The hydrogen content in the tar also varied with polystyrene content, indicating an improvement in tar quality during co-pyrolysis.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Green & Sustainable Science & Technology
Yun Zhang, Chuanbiao Zhang, Wenjuan Li, Qiuping Xiao, Fengyuan Jiao, Sen Xu, Yanhua Lan, Yizheng Fu, Chi-Min Shu, Weiguo Cao
Summary: Stearic acid plays a crucial role in renewable energy development. Through experimental and simulation approaches, the researchers studied the pyrolysis reaction mechanism and product distribution of stearic acid, providing insight into its explosion characteristics.
Article
Energy & Fuels
Shixing Zhu, Hui Jin, Xiangjin Meng, Wenwen Wei, Zhisong Ou, Mengmeng Song, Liejin Guo
Summary: High-efficiency gasification of inferior brown coal to produce hydrogen is a challenging research focus for coal resource utilization. The presence of abundant intermolecular hydrogen bonds in brown coal leads to cross-linking side reactions during pyrolysis, which hinders efficient gasification. It was found that alkaline subcritical liquid water can disrupt the hydrogen bond structure in lignite, promoting depolymerization of lignite particles. This discovery led to the proposal of a two-step method combining subcritical depolymerization with supercritical gasification, achieving high-efficiency gasification of brown coal for hydrogen production.
Article
Energy & Fuels
Bang Wu, Xin Guo, Xingyu Qian, Bo Liu
Summary: This study investigates the influence of calcium on the co-pyrolysis of coal and polystyrene (PS) using the reactive molecular dynamics method. The presence of calcium significantly promotes the co-pyrolysis process, leading to an increased production of light tar. The promotion effect of calcium on tar to char conversion in coal pyrolysis and on PS pyrolysis is observed. The kinetic parameters for the co-pyrolysis of coal/PS and coal(Ca)/PS are quantitatively determined using a first-order reaction model.
Article
Polymer Science
Wei Guo, Kang Fan, Guanlun Guo, Jing Wang
Summary: In this study, the thermal decomposition characteristics of polypropylene (PP) were investigated using ReaxFF MD for the first time on a large system. It was found that random C-C bond scission of long PP chains resulted in a variety of products at the beginning of the reaction. As the temperature increased, the product composition shifted towards lighter components, with propylene being the predominant product. In the constant temperature stage, secondary reactions occurred, leading to an increase in the content of heavier components. Analysis of pyrolysis kinetics suggested that the Contracting Cylinder model is suitable for PP pyrolysis.
POLYMER DEGRADATION AND STABILITY
(2022)
Article
Energy & Fuels
Liansheng Yao, Fusen Zhang, Zhanlong Song, Xiqiang Zhao, Wenlong Wang, Yanpeng Mao, Jing Sun
Summary: Microwave-assisted catalytic pyrolysis of waste plastics has great potential for hydrogen generation. Molecular dynamics (MD) simulation using the ReaxFF method was conducted to study the mechanism of Fe catalyzed pyrolysis of plastics under microwave heating. The results show that microwave enhances Fe cluster adsorption capacity, reduces the dissociation energy of C-H bonds, and promotes the cleavage of C-C bonds through H radicals at low temperature. These findings provide a theoretical basis for valorising waste plastics aided by microwave and demonstrate the reliability of ReaxFF MD.
Article
Chemistry, Physical
Chuang Yang, Shuzhong Wang, Yanhui Li, Yishu Zhang, Chengchao Cui
Summary: This study investigates the thermodynamic equilibrium analysis of supercritical water gasification involving different feedstocks like coal, sewage sludge, microalgae, and sawdust. The results show that temperature and feed concentration play a crucial role in determining hydrogen yield, while pressure has minimal effects. An optimal feed concentration of 15-20 wt% is found for hydrogen production.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Cui Wang, Mingming Du, Huifang Feng, Hui Jin
Summary: Supercritical water gasification (SCWG) technology efficiently utilizes biomass, but the gasification mechanism of real biomass is complex. The study found that complete gasification of biomass can be achieved at relatively high temperatures. Additionally, it was discovered that SCWG enables co-production of hydrogen and biochar. Furthermore, the study explored the evolution of pore structure of biochar, revealing that SCWG produces abundant pore structure.
Article
Engineering, Chemical
Shuchun Zhao, Wei Li, Jinli Zhang
Summary: This study utilizes POD and DMD analysis methods to extract the energetical and dynamical characteristics of velocity fields in high-shear mixers using sampling spaces generated through Large-Eddy Simulation. The POD results visualize significant flow structures, while the DMD results reveal the importance of lower frequency flow patterns.
Article
Engineering, Environmental
Junheng Guo, Yudong Liu, Shuchun Zhao, Haojie Li, Wei Li, Jinke Xia, Jiangjiexing Wu, Jinli Zhang
Summary: This article investigates the residence time distribution (RTD) characteristics of high shear mixers (HSMs) through experimental and simulation studies. The results show that adding a distributor or increasing rotor speed improves the local energy dissipation and smoothes the RTD curves. Increasing the number of stator-rotor stages makes the RTD curves closer to plug flow. Higher or thicker rotor-stator teeth favor typical first/second-order reactions. Additionally, correlations between various parameters were obtained, providing useful guidance for the scale-up design and optimization of HSMs.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Yuwen Ji, Huhu Wang, Zhaohang Jia, Wencai Peng, Jinli Zhang, Jianshu Zhang
Summary: Efficient conversion of SiCl4 to SiHCl3 remains a challenge in the Siemens process for polysilicon manufacturing. In this study, hydrogenation of SiCl4 over various transition metal chlorides and bimetal chloride catalysts was investigated. Bimetal chloride catalysts exhibited significantly improved performance compared to monometallic chloride catalysts, with Cu 10%-Ni 10% and Cu 10%-Co 10% reaching conversion rates of 19.68% and 20.96% at 500 degrees C, respectively. The presence of Co or Ni in the bimetal chloride catalysts contributed to the dispersion of metals and the formation of more active copper silicides.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Engineering, Chemical
Junheng Guo, Yudong Liu, Guixuan Shan, Haojie Li, Wei Li, Hongyun Qin, Jinke Xia, Jiangjiexing Wu, Jinli Zhang
Summary: High shear mixers (HSMs) have the potential to facilitate rapid reactions and control nanoparticle preparation, but the complex relationship between HSM geometry and micromixing is not well understood. This study investigates the influence of structure on micromixing through experiments, numerical simulations, and a modified finite rate/eddy dissipation model. The results show that a larger rotor-stator row can reduce fluid backmixing, a smaller shear gap increases energy dissipation, and a wider slot extends the residence time of H+ in the high energy dissipation region, thereby improving micromixing in HSMs. The study also provides a selection guide for HSMs in fast chemical reactions based on micromixing time (tm).
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Mengxiao Yu, Zhihan Zhang, Xiaobin Liu, Houjun Zhang, Xinyuan Huang, Jinli Zhang, You Han
Summary: The segregation and heat transfer of polydisperse particles in the rotating drum have been studied using a verified discrete element method model. Results show that polydisperse particles form a segregation structure in the rolling regime of the rotating drum. Heat transfer of polydisperse particles is influenced by this segregation structure. Small changes in rotation speed and filling level do not affect particle segregation and heat transfer. Adding lifters is an effective method to reduce particle segregation and improve heat transfer. This study provides insights into the segregation and heat transfer theory of polydisperse particles in rotating drums.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Biochemistry & Molecular Biology
Jinbo Yang, Xiangxue Cao, Lanfeng Wei, Jianshu Zhang, Jinli Zhang, Ping Liu, Liang Xu, Pengfei Li
Summary: In this study, a four-coordinated organoboron compound, aminoquinoline diarylboron (AQDAB) was used as a photocatalyst for the oxidation of silane to silanol. This method efficiently oxidizes Si-H bonds to form Si-O bonds. The corresponding silanols can be obtained in moderate to good yields at room temperature under oxygen atmospheres, providing a green protocol for the preparation of silanols.
Article
Engineering, Chemical
Shuchun Zhao, Guixuan Shan, Xinhui Yang, Kangkang Ma, Wei Li, Jinli Zhang
Summary: The study investigates the effects of particle size and concentration, rotor revolution speed, and rotor structural parameters on the liquid-liquid extraction process with solid particles. The results show that increasing the rotor revolution speed significantly improves mass transfer performance. The extraction efficiency and mass transfer coefficient increase at low revolution speeds but decrease with higher particle concentration. Larger particle size is detrimental to mass transfer. Additionally, the relationship between the mass transfer coefficient and key parameters is established with high accuracy using machine learning algorithms for HSM design and optimization.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Honglei Liu, Guangtian Ji, Pingji Ge, Guixian Ge, Xiaodong Yang, Jinli Zhang
Summary: The effects of charging on the magnetic anisotropy energy (MAE) of rhenium atom in nitrogenized-divacancy graphene (Re@NDV) are investigated. High-stability and large MAE of 71.2 meV are found in Re@NDV. Charge injection can tune the magnitude of MAE and control the easy magnetization direction of the system. The controllable MAE of Re@NDV makes it promising for high-performance magnetic storage and spintronics devices.
Article
Energy & Fuels
Ya-nan Zhou, Tiantong Zhang, Yong Zhai, Yifei Wang, Xingfei Tang, Ning Nie, Jinli Zhang, Wei Li
Summary: This study adjusts the interfacial physicochemical property of phosphomolybdic acid through Li-ion exchange, and then adopts the Li-exchanged acid to modify the cathode material LiNi0.9Mn0.1O2, resulting in improved rate performance and cycling stability of the cathode.
Article
Polymer Science
Yawei Sun, Aiqun Kong, Fang Chen, Jinli Zhang, Wei Li
Summary: This study developed a novel degradation strategy by incorporating tannic acid (TA) into polycaprolactone (PCL), which resulted in a PCL-co-TA composite with multiple-stimuli response degradation capability. The composite exhibited controllable degradation rates, stable mechanical properties, and controllable drug release and antimicrobial properties.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Chemistry, Applied
Jiangli Feng, Chenhui Wang, Hailin Lei, Songtao Liu, Jing Liu, You Han, Jinli Zhang, Wei Li
Summary: Lithium cobalt oxide (LiCoO2) is commonly used as cathode material in lithium-ion batteries. However, it suffers from structural degradation and side reactions at high voltages. In this study, Ce and F co-modified LiCoO2 was prepared and its electrochemical performance was evaluated at high voltages. The modified samples exhibited improved cycling performance and capacity retention, attributed to the multiphase heterostructure and unique CeOF solid solution phase.
JOURNAL OF ENERGY CHEMISTRY
(2023)
Article
Chemistry, Physical
Ye Lv, Mao Peng, Weiwei Yang, Menghui Liu, Aiqun Kong, Yan Fu, Wei Li, Jinli Zhang
Summary: A nickel foam-supported molybdenum dioxide/molybdenum phosphide hybrid electrocatalyst (MoO2/MoP/NF) is reported for highly selective generation of terephthalic acid (TA) via electrocatalytic oxidation (ECO) of p-xylene (PX) in alkaline medium. The MoO2/MoP/NF anode material shows a unique cluster like nanocone architecture, providing abundant active sites for efficient charge transfer kinetics. The synergy between MoO2 and MoP yields high TA selectivity of 94.8% and outstanding faradaic efficiency of 76.9% at a conversion of 71.6%.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2024)
Article
Chemistry, Physical
Hongyang Tian, Houjun Zhang, Jinli Zhang, You Han
Summary: This study investigates nucleation with reactions from supercritical water by using molecular dynamics with a reactive force field. Nano-iron oxide crystals were synthesized via the supercritical hydrothermal synthesis method. The early stages of nucleation showed high local density areas as primary candidates for nucleation. The process involved the formation of amorphous intermediate followed by the emergence of a crystalline nucleus through the aggregation and coalescence of prenucleation clusters (PNCs), deviating from the classical theory of one-step nucleation.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Mengxiao Yu, Xiaobin Liu, Xiaoyu Zhang, Jinli Zhang, You Han
Summary: Researchers have developed a tandem catalyst that can efficiently convert CO2 into aromatics with high selectivity. The catalyst consists of indium-promoted composite metal oxides and modified nanosized ZSM-5. The results show that this catalyst system has great potential in the conversion of CO2 and can achieve high selectivity for aromatics production.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Review
Chemistry, Physical
Menghui Chen, Wei Li, Houjun Zhang, Menghui Liu, Jinli Zhang, Xiangyuan Li, You Han
Summary: This article summarizes the recent progress of ReaxFF MD simulation in exploring the pyrolysis and combustion mechanism of aviation fuels, aerospace fuels, and energetic additives. It focuses on the simulation of aviation kerosene model substitutes, high-density aviation fuels, aerospace fuels, and energetic additives under various conditions. The article also discusses the limitations of ReaxFF MD simulation in describing fuel pyrolysis or combustion systems and prospects for its application in the fuel field.
Article
Energy & Fuels
Yingna Du, Chen Huang, Wei Jiang, Qiangwei Yan, Yongfei Li, Gang Chen
Summary: In this study, anionic surfactants modified hydrotalcite was used as a flow improver for crude oil under low-temperature conditions. The modified hydrotalcite showed a significant viscosity reduction effect on crude oil. The mechanism of the modified hydrotalcite on viscosity and pour point of crude oil was explored through characterization and analysis of the modified hydrotalcite and oil samples.
Article
Energy & Fuels
Mohammad Saeid Rostami, Mohammad Mehdi Khodaei
Summary: In this study, a hybrid structure, MIL-53(Al)@MWCNT, was synthesized by combining MIL-53(Al) particles and -COOH functionalized multi-walled carbon nanotube (MWCNT). The hybrid structure was then embedded in a polyethersulfone (PES) polymer matrix to prepare a mixed matrix membrane (MMM) for CO2/CH4 and CO2/N2 separation. The addition of MWCNTs prevented MIL-53(Al) aggregation, improved membrane mechanical properties, and enhanced gas separation efficiency.
Article
Energy & Fuels
Yunlong Li, Desheng Huang, Xiaomeng Dong, Daoyong Yang
Summary: This study develops theoretical and experimental techniques to determine the phase behavior and physical properties of DME/flue gas/water/heavy oil systems. Eight constant composition expansion (CCE) tests are conducted to obtain new experimental data. A thermodynamic model is used to accurately predict saturation pressure and swelling factors, as well as the phase boundaries of N2/heavy oil systems and DME/CO2/heavy oil systems, with high accuracy.
Article
Energy & Fuels
Morteza Afkhamipour, Ebad Seifi, Arash Esmaeili, Mohammad Shamsi, Tohid N. Borhani
Summary: Non-conventional amines are being researched worldwide to overcome the limitations of traditional amines like MEA and MDEA. Adequate process and thermodynamic models are crucial for understanding the applicability and performance of these amines in CO2 absorption, but studies on process modeling for these amines are limited. This study used rate-based modeling and Deshmukh-Mather method to model CO2 absorption by DETA solution in a packed column, validated the model with experimental data, and conducted a sensitivity analysis of mass transfer correlations. The study also compared the CO2 absorption efficiency of DETA solution with an ionic solvent [bmim]-[PF6] and highlighted the importance of finding optimum operational parameters for maximum absorption efficiency.
Article
Energy & Fuels
Arastoo Abdi, Mohamad Awarke, M. Reza Malayeri, Masoud Riazi
Summary: The utilization of smart water in EOR operations has gained attention, but more research is needed to understand the complex mechanisms involved. This study investigated the interfacial tension between smart water and crude oil, considering factors such as salt, pH, asphaltene type, and aged smart water. The results revealed that the hydration of ions in smart water plays a key role in its efficacy, with acidic and basic asphaltene acting as intrinsic surfactants. The pH also influenced the interfacial tension, and the aged smart water's interaction with crude oil depended on asphaltene type, salt, and salinity.
Article
Energy & Fuels
Dongao Zhu, Kun Zhu, Lixian Xu, Haiyan Huang, Jing He, Wenshuai Zhu, Huaming Li, Wei Jiang
Summary: In this study, cobalt-based metal-organic frameworks (Co-based MOFs) were used as supports and co-catalysts to confine the NHPI catalyst, solving the leaching issue. The NHPI@Co-MOF with carboxyl groups exhibited stronger acidity and facilitated the generation of active oxygen radicals O2•, resulting in enhanced catalytic activity. This research provides valuable insights into the selection of suitable organic linkers and broadens the research horizon of MOF hybrids in efficient oxidative desulfurization (ODS) applications.
Article
Energy & Fuels
Edwin G. Hoyos, Gloria Amo-Duodu, U. Gulsum Kiral, Laura Vargas-Estrada, Raquel Lebrero, Rail Munoz
Summary: This study investigated the impact of carbon-coated zero-valent nanoparticle concentration on photosynthetic biogas upgrading. The addition of nanoparticles significantly increased microalgae productivity and enhanced nitrogen and phosphorus assimilation. The presence of nanoparticles also improved the quality of biomethane produced.
Article
Energy & Fuels
Yao Xiao, Asma Leghari, Linfeng Liu, Fangchao Yu, Ming Gao, Lu Ding, Yu Yang, Xueli Chen, Xiaoyu Yan, Fuchen Wang
Summary: Iron is added as a flocculant in wastewater treatment and the hydrothermal carbonization (HTC) of sludge produces wastewater containing Fe. This study investigates the effect of aqueous phase (AP) recycling on hydrochar properties, iron evolution and environmental assessment during HTC of sludge. The results show that AP recycling process improves the dewatering performance of hydrochar and facilitates the recovery of Fe from the liquid phase.
Article
Energy & Fuels
He Liang, Tao Wang, Zhenmin Luo, Jianliang Yu, Weizhai Yi, Fangming Cheng, Jingyu Zhao, Xingqing Yan, Jun Deng, Jihao Shi
Summary: This study investigated the influence of inhibitors (carbon dioxide, nitrogen, and heptafluoropropane) on the lower flammability limit of hydrogen and determined the critical inhibitory concentration needed for complete suppression. The impact of inhibitors on explosive characteristics was evaluated, and the inhibitory mechanism was analyzed with chemical kinetics. The results showed that with the increase of inhibitor quantity, the lower flammability limit of hydrogen also increased. The research findings can contribute to the safe utilization of hydrogen energy.
Article
Energy & Fuels
Zonghui Liu, Zhongze Zhang, Yali Zhou, Ziling Wang, Mingyang Du, Zhe Wen, Bing Yan, Qingxiang Ma, Na Liu, Bing Xue
Summary: In this study, high-performance solid catalysts based on phosphotungstic acid (HPW) supported on Zr-SBA-15 were synthesized and evaluated for the one-pot conversion of furfural (FUR) to γ-valerolactone (GVL). The catalysts were characterized using various techniques, and the ratio of HPW and Zr was found to significantly affect the selectivity of GVL. The HPW/Zr-SBA-15 (2-4-15) catalyst exhibited the highest GVL yield (83%) under optimized reaction conditions, and it was determined that a balance between Bronsted acid sites (BAS) and Lewis acid sites (LAS) was crucial for achieving higher catalytic performance. The reaction parameters and catalyst stability were also investigated.
Article
Energy & Fuels
Michael Stoehr, Stephan Ruoff, Bastian Rauch, Wolfgang Meier, Patrick Le Clercq
Summary: As part of the global energy transition, an experimental study was conducted to understand the effects of different fuel properties on droplet vaporization for various conventional and alternative fuels. The study utilized a flow channel to measure the evolution of droplet diameters over time and distance. The results revealed the temperature-dependent effects of physical properties, such as boiling point, liquid density, and enthalpy of vaporization, and showed the complex interactions of preferential vaporization and temperature-dependent influences of physical properties for multi-component fuels.
Article
Energy & Fuels
Yuan Zhuang, Ruikang Wu, Xinyan Wang, Rui Zhai, Changyong Gao
Summary: Through experimental validation and optimization of the chemical kinetic model, it was found that methanol can accelerate the oxidation reaction of ammonia, and methanol can be rapidly oxidized at high concentration. HO2 was found to generate a significant amount of OH radicals, facilitating the oxidation of methanol and ammonia. Rating: 7.5/10.
Article
Energy & Fuels
Radwan M. EL-Zohairy, Ahmed S. Attia, A. S. Huzayyin, Ahmed I. EL-Seesy
Summary: This paper presents a lab-scale experimental study on the impact of diethyl ether (DEE) as an additive to waste cooking oil biodiesel with Jet A-1 on combustion and emission features of a swirl-stabilized premixed flame. The addition of DEE to biodiesel significantly affects the flame temperature distribution and emissions. The W20D20 blend of DEE, biodiesel, and Jet A-1 shows similar flame temperature distribution to Jet A-1 and significantly reduces UHC, CO, and NOx emissions compared to Jet A-1.
Article
Energy & Fuels
Jiang Bian, Ziyuan Zhao, Yang Liu, Ran Cheng, Xuerui Zang, Xuewen Cao
Summary: This study presents a novel method for ammonia separation using supersonic flow and develops a mathematical model to investigate the condensation phenomenon. The results demonstrate that the L-P nucleation model accurately characterizes the nucleation process of ammonia at low temperatures. Numerical simulations also show that increasing pressure and concentration can enhance ammonia condensation efficiency.
Article
Energy & Fuels
Shiyuan Pan, Xiaodan Shi, Beibei Dong, Jan Skvaril, Haoran Zhang, Yongtu Liang, Hailong Li
Summary: Integrating CO2 capture with biomass-fired combined heat and power (bio-CHP) plants is a promising method for achieving negative emissions. This study develops a reliable data-driven model based on the Transformer architecture to predict the flowrate and CO2 concentration of flue gas in real time. The model validation shows high prediction accuracy, and the potential impact of meteorological parameters on model accuracy is assessed. The results demonstrate that the Transformer model outperforms other models and using near-infrared spectral data as input features improves the prediction accuracy.