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Laser-based speciation of acetone oxidation behind reflected shock waves and chemical kinetic modeling

International Journal of Hydrogen Energy 2025年 141卷 46-58页

作者： Congjie Hong Xin Zhang Jiabiao Zou Zuohua Huang Yingjia Zhang Aamir Farooq State Key Laboratory of Multiphase Flows in Power Engineering Xi'an Jiaotong University Xi'an 710049 People's Republic of China Clean Energy Research Platform Physical Sciences and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia

With the growing global focus on renewable and oxygenated fuels, acetone has attracted significant attention due to its role as a key intermediate in the oxidation of alcohol-based fuels, an efficient hydrogen carrier, and a vital component in hydrogen production via catalytic reforming and biofuel synthesis. A comprehensive understanding of its pyrolysis and oxidation mechanisms is crucial for advancing clean energy technologies and optimizing its utilization in sustainable fuel applications. However, discrepancies persist in existing models regarding the time histories of key species during acetone pyrolysis. In this study, advanced laser diagnostic techniques were employed to measure the time-resolved concentration profiles of various species during acetone oxidation behind reflected shock waves, capturing the dynamic evolution of key intermediates and products such as CO, OH, and H 2 O. By integrating the latest experimental and theoretical studies, including the concentration profiles of key intermediates during pyrolysis, rate coefficient measurements, and ignition delay times, the critical reaction pathways and rate coefficients of acetone were systematically refined. Additionally, previously missing reaction pathways (i.e., CH 2 CO + CH 3 =HCCO + CH 4 ) were incorporated, leading to an improved acetone kinetic model that underwent comprehensive validation against various experimental datasets. The results indicate that the updated model accurately predicts the time-resolved concentration profiles of key species during acetone oxidation and pyrolysis over a wide temperature range, with significant improvements in predicting ignition delay times and laminar flame speeds. This study offers valuable insights for refining acetone kinetic models and establishes a research framework for investigating the complex chemical behavior of ketones and other oxygenated fuels in combustion.

关键词： Acetone Kinetic modeling Laser absorption spectroscopy Multi-species time-history Shock tube

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Preparation and Application of Red Mud-Based Zero-Valent Iron Heterogeneous Fenton Catalyst: A New Idea for Red Mud Recycling

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SSRN 2022年

作者： Li, Hang Shi, Bofang Fu, Xiaojie Zhang, Haowen Yang, Honghui Xi’an Key Laboratory of Sustainable Energy Materials Chemistry School of Chemistry Xi'an Jiaotong University Xi’an710049 China State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

As an abundant hazardous waste, red mud needs a simple and effective mean of resource utilization. Herein, a novel zero-valent iron heterogeneous Fenton catalyst RMB-900 was synthesized by pyrolysis (900°C) using red mud and straw with a facile solvent-free carbothermal redox approach. X-ray diffraction analysis showed that Fe2O3 in the red mud was reduced to Fe0. Characterization data showed that RMB-900 was a zero-valent iron loaded porous material. Under the conditions of 2.86 mM H2O2, 100 mg/L acid red G, and 1 g/L RMB-900, 98% of acid red G was removed within 10 min, the reaction rate constant is 6.7 folds higher than that of commercial zero-valent iron. The RMB-900/H2O2 system also showed good degradability to antibiotics (Sulfamethoxazole, Ibuprofen and Carbamazepine). H2O2 is mainly catalysed by Fe0 in RMB-900 to generate •OH for ARG degradation. RMB-900 still showed excellent catalytic performance after standing for four months and after being reused nine times. This study not only prepared a catalyst with low cost, high stability, and great potential for wastewater treatment through a simple and green solvent-free method, but also provided a research basis for further exploration of red mud-based catalysts. © 2022, The Authors. All rights reserved.

关键词： Wastewater treatment

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Thermodynamic Analysis of a Hybrid Energy System Coupling Solar Organic Rankine Cycle and Ground Source Heat Pump: Exploring Heat Cascade Utilization

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SSRN 2023年

作者： Chen, Liangqi Yue, Huifeng Wang, Jiangfeng Lou, Juwei Wang, Shunsen Guo, Yumin Deng, Bohao Sun, Lu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China China United Northwest Institute for Engineering Design & Research Co. Ltd Xi’an710077 China School of Human Settlements and Civil Engineering Xi'an Jiaotong University Xi’an710049 China

The demand for efficient utilization of renewable energy is growing and the hybrid energy system driven by solar and geothermal energy is a significant way to minimize carbon emission and achieve carbon neutrality. This paper presents a hybrid energy system coupling solar organic Rankine cycle (S-ORC) with ground source heat pump (GSHP) for heating and power supply to further increase thermal efficiency and explore the heat cascade utilization of hybrid energy system during the heating season. In the hybrid energy system, the ground heat exchanger (GHE) is shared by the S-ORC and GSHP systems and the waste heat from the condenser of S-ORC is recovered to enhance the coefficient of performance (COP) of GSHP. A mathematical model is optimized to analyze the parametric effects on thermodynamic performance under different operating conditions. The comparison between the hybrid energy system and the stand-alone GSHP system is performed to present the superiority of energy recycling. The results indicate that the COP of the hybrid energy system can be improved up to 6.5 which shows the obvious advantage compared to 2.8 of the stand-alone GSHP system under the given system conditions. In addition, the increase of turbine inlet pressure can not only reduce the area of solar fields and length of buried tubes, but also contribute to the thermodynamic performance of the hybrid energy system. Furthermore, the hybrid energy system can obtain optimum exergy efficiency by matching ground source temperature and condensation temperature in the ORC unit. For a building of 3000m2 with heating and power supply, multi-objective optimization by means of a genetic algorithm is carried out to obtain the optimal design performance that the net power output, thermal efficiency and exergy efficiency are 180.0kW, 27.5%, and 9.2% respectively. © 2023, The Authors. All rights reserved.

关键词： Geothermal heat pumps

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A Comprehensive Review on Multi-Dimensional Heat Conduction of Multi-Layer and Composite Structures:Analytical Solutions

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Journal of Thermal Science 2021年第6期30卷 1875-1907页

作者： AMIRI DELOUEI Amin EMAMIAN Amin SAJJADI Hasan ATASHAFROOZ Meysam LI Yueming WANG Lian-Ping JING Dengwei XIE Gongnan Department of Mechanical Engineering University of BojnordBojnordIran Mechanical Engineering Department Shahrood University of TechnologyShahroodIran Department of Mechanical Engineering Siijan University of TechnologySiijanIran School of Aerospace Engineering Xi’an Jiaotong UniversityXi’an 710049China Guangdong Provincial Key Laboratory of Turbulence Research and Applications Center for Complex Flows and Soft Matter Research and Department of Mechanics and Aerospace EngineeringSouthern University of Science and TechnologyShenzhen 518055China Department of Mechanical Engineering University of DelawareNewarkDelaware19711USA International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China Department of Mechanical and Power Engineering Northwestern Polytechnical UniversityXi'an 710072China

Heat conduction in multi-layer and composite materials is one of the fundamental heat transfer problems in many industrial *** to different materials types,interface conditions,and various geometries of these laminates,the heat conduction mechanism is more complicated than that of one-layer isotropic *** solutions are the best ways to study and understand such problems in *** this study,different existing analytical solutions for heat conduction in multi-layer and composite materials are reviewed and classified in rectangular,cylindrical,spherical,and conical *** boundary conditions,internal heat source,and thermal contact resistance as the most critical parameters in the solution complexity investigated in the literature,are discussed and summarized in different *** types of multi-layer structures such as isotropic,anisotropic,orthotropic,and reinforced laminates are included in this *** is found that although more than half a century has passed since the beginning of the research on heat transfer in multi-layer composites,new researches that can help with a better understanding in this area are still being *** challenges and shortcomings in this area are also discussed to guide future researches.

关键词： multi-dimensional heat conduction composite laminates multi-layer structures analytical solutions interface contact resistance

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Identification of flow cut-off pattern and prediction of cut-off time of gas-liquid two-phase flow in pipeline-riser system

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Physics of Fluids 2025年第5期37卷

作者： Liu, Tianyu Wang, Hanxuan Zou, Suifeng Du, Yaohua Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

For offshore pipeline-riser systems, cyclic flow cut-off in slugging flow pattern should be identified and necessarily mitigated to satisfy the requirement of normal operation of gas-liquid separator. Since conventional studies on flow pattern identification were not directly related to the harmfulness of slugging and the decision of flow control, this study develops a risk assessment method for offshore riser systems based on the characteristic parameters of riser outlet signals, achieving an identification accuracy exceeding 90% at different valve openings. Notably, the method maintains exceptional performance under high-pressure conditions, with identification accuracy reaching 96.74% at 10 MPa. On the other hand, this study focuses on the prediction of cut-off duration time in a cycle instead of the cycle period. We establish a predictive model for flow cut-off duration time under different choking conditions. Validation across diverse pipeline systems demonstrates strong reliability of the model, exhibiting maximum prediction errors of 30%. The model's coefficients can be fitted by a small dataset without significant loss of accuracy, and the coefficients are conservative, indicating strong applicability in the field operation. These findings offer significant theoretical insights and practical solutions for enhancing the operational safety of offshore oil and gas transportation systems. © 2025 Author(s).

关键词： Marine risers

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Microscopic characteristics study of liquid ammonia spray under different flash boiling conditions

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Fuel 2025年 401卷

作者： Xiao Liu Gangwei Zeng Xiaoxin Yao Chenglong Tang Zuohua Huang State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an 710049 China

Liquid ammonia, as a zero-carbon fuel, has received widespread attention in the field of internal combustion engines. The development of ammonia spray and evaporation models urgently requires accurate particle size distribution data. In this study, microscopic characteristics of liquid ammonia spray were firstly experimentally investigated under conditions of high injection pressure (up to 80 MPa) and ambient pressure (up to 4 MPa) with a single-hole injector (0.3 mm). Statistical results of microscopic parameters, including Sauter Mean Diameter (SMD), characteristic droplet diameter, and droplet number density were obtained over a wide range. The results indicate that ambient pressure or R P significantly affects the microscopic characteristics of ammonia spray. In flare flash boiling region (pressure ratio R P ≤ 0.3), ammonia spray produces more droplets with smaller diameter and the statistical SMD is around 15 μm. The droplet size increases and number density decreases with the increasement of ambient pressure or R P . In the transition flash (0.3 < R P ≤ 1) and non-flash boiling region ( R P > 1), the SMD statistical results are approximately 20 and 24 μm, respectively. Increasing the injection pressure can promote atomization and generate more smaller droplets, with a more uniform distribution. Ambient temperature slightly affects the microscopic characteristics of liquid ammonia spray within the temperature range selected for this study, but evaporation becomes more pronounced as the ambient temperature increases. The wide range droplet size distribution and SMD are believed to provide important data for ammonia spray modeling and simulation.

关键词： Internal combustion engines

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Numerical Simulation Study on Two-Phase flow of Thermal Runaway Evolution and Jet Fire of 18650 Lithium-Ion Battery Under Thermal Abuse

SSRN

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SSRN 2023年

作者： Wang, Jia-Hao Mei, Mei Jiang, Ziqi Qiu, Huihe Wang, Ying Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China Department of Mechanical and Aerospace Engineering The Hong Kong University of Science and Technology Clear Water Bay Hong Kong

This study investigates the impact of particles on the external jet flame of 18650 lithium-ion batteries using a two-dimensional transient numerical simulation. The mixing characteristics of jet flames and particles generated by battery combustion are analyzed using a multi-component Navier-Stokes equation and Lagrangian method. The model is validated by comparing it with experimental measurements of flame height. The results show that particles have a significant impact on the jet flame's characteristics and dynamic behavior during the battery's thermal runaway process. The study includes an analysis of the velocity field, temperature field, flow field, component concentration distribution, and lift-off height. Two stages of the jet flame are identified: unstable and stable. The presence of particles causes the unstable flame height to be 1-2 times higher than the stable flame height. This research provides reference for the safety assessment of actual batteries. © 2023, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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Investigation on turbulent characterization of arrayed micro-tube premixed hydrogen flames using an enhanced flamelet library

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Applied Thermal engineering 2025年 275卷

作者： Han, Xiao Yin, Yanxu Wang, Bosen Chang, Yunxin Cai, Xiao Research Institute of Aero-Engine Beihang University Beijing100191 China National Key Laboratory of Science and Technology on Aero-Engine Aero-thermodynamics Beihang University Beijing100191 China Collaborative Innovation Center for Advanced Aero-Engine Beihang University Beijing100191 China Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an710049 China

Lean turbulent premixed hydrogen/air flames exhibit increased flame wrinkling and significantly enhanced flame speeds, posing challenges for stable combustion. In the novel arrayed multi-flame burner, flame instabilities are intensified by flame-flame interactions. This study develops a distributed and efficient numerical framework for the Large Eddy Simulation-Flamelet Generated Manifold (LES-FGM) method, incorporating an improved 1D flamelet library. The framework is applied to investigate flame dynamics in both bluff-body and conical flame systems under varying equivalence ratios (= 0.4–0.7) and Karlovitz numbers (Ka = 1–100). By accounting for preferential diffusion, thermal-diffusive instability, and heat loss in stretched flames, the framework improves the accuracy of the flamelet library and captures key physical effects. 1D simulations are performed to validate and analyze the influence of differential diffusion on flame characteristics. The impact of transient flame stretching is analyzed in detail, revealing its critical role in stability transitions across varying turbulence intensities. Additionally, this study examines turbulence effects and micromix multi-flame interactions. The flame stretch factor varies from 1.1 to 2.4 in these three cases. At lower equivalence ratios, higher Ka suppresses tip-opening but intensifies small-scale flame wrinkling. Flame pocket detachment becomes more frequent. Vortex interactions play a key role in flame instability. The strain rate of conical flames is 40 % lower than that of bluff-body flames. These findings provide novel insights into flame dynamics in multi-flame burner arrays, which are critical for optimizing combustion performance in gas turbine combustors. © 2025 Elsevier Ltd

关键词： Large eddy simulation

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Heavy Oil Upgrading Using Naoh/Cuso4 Composite Catalyst in Aquathermolysis

SSRN

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SSRN 2022年

作者： Zhou, Yantao Zhao, Qiuyang Miao, Yan Wang, Xuetao Zhang, Yanlong Wang, Yechun Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China Xinjin Weihua Institute of Clean Energy Research Foshan528216 China

To obtain an inexpensive and efficient catalyst in the in-situ upgrading of heavy oil, the NaOH/CuSO4 composite catalyst was proposed in this work. Firstly, the experiments found the viscosity of heavy oil increased with addition of CuSO4 under 300°C in aquathermolysis. Then, the addition of NaOH was found to improve the catalyst capacity of CuSO4 significantly. The NaOH/CuSO4 decreased the viscosity by 81.43% under 300°C. The further analysis revealed the Cu atoms of CuSO4 enter into the heavy oil molecules to increase viscosity, and the NaOH inhabits the viscosity increasing reaction. Besides, the Cu and CuOx with a higher catalytic capacity produced with the addition of NaOH. These conclusions are helpful to understand the aquathermolysis upgrading mechanism and develop a type of inexpensive and efficient composite catalyst. © 2022, The Authors. All rights reserved.

关键词： Sulfur compounds

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Experimental Study on Leakage of High-Energy Fluids Through Narrow Elliptical Slits

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SSRN 2024年

作者： Bi, Qincheng Zhang, Tao Zhao, Jinle Wang, Teng Yang, Zhendong Gui, Miao State Key Lab Multiphase Flow Power Engn Xi'an Jiaotong University Shaanxi Xian710049 China Department of Power Engineering North China Electric Power University Baoding071003 China State Key Laboratory of Eco-hydraulics in Northwest Arid Region of China Xi'an University of Technology Shaanxi Xian710048 China School of Nuclear Science and Technology Xi'an Jiaotong University Shaanxi Xian710049 China

This study is focused on the leakage flow rate of high-energy fluid passing through narrow elliptical slits with large aspect ratios, which is an issue in the application of the leak-before-break concept. Experiments were conducted using a high-temperature and high-pressure experimental platform at Xi’an Jiaotong University, where the temperature reached up to 320 ℃ and the pressure reached up to 10 MPa. These temperatures and pressures encompass a wide range of operating conditions (single-phase cold water, liquid-vapor (two-phase) mixture, and superheated steam). A series of narrow elliptical slits with different aspect ratios (528-2083) and hydraulic diameters (226-412 um) were used in the experiments. The experimental results were compared with previous model. Based on the experimental data and the the effects of the aspect ratio, the mathematical model was corrected, and the results obtained from the modified model conform well with the experimental results. © 2024, The Authors. All rights reserved.

关键词： Aspect ratio

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