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Implication of Sensitive Reactions to Ignition of Methyl Pentanoate:H-Abstraction Reactions by H and CH_(3) Radicals

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Chemical Research in Chinese Universities 2021年第3期37卷 711-717页

作者： SHANG Yanlei ning hongbo SHI Jinchun LUO S.N. Key Laboratory of Advanced Technologies of Materials Ministry of EducationSouthwest Jiaotong UniversityChengdu610031P.R.China The Peac Institute of Multiscale Sciences Chengdu610027P.R.China

Methyl pentanoate(MP)was identified as a potential *** facilitate the application of MP with high efficiency in engines,a comprehensive understanding of combustion chemical kinetics of MP is *** this work,the H-abstraction reactions from MP by H and CH_(3) radicals,critical in controlling the initial fuel consumption,are theoretically investigated at the DLPNO-CCSD(T)/CBS(T-Q)//M06-2X/cc-pVTZ level of *** multistructural torsional(MS-T)anharmonicity is characterized using the dual-level MS-T method;the HF/3-21G and M06-2X/cc-pVTZ methods are chosen as the low-and high-level methods,*** conventional transition state theory(TST)is employed to calculate the high-pressure limit rate constants at 298-2000 K with the Eckart tunneling *** calculations indicate that the hydrogen atoms of the methylene functional group are easier to be abstracted by H and CH_(3) *** multistructural torsional anharmonicities of H-abstraction reactions MP+H/CH_(3) are significant within the temperature range *** tunneling effects are more pronounced at low temperatures,and contribute considerably to the rate constants below 500 *** model from the work of Diévart et *** updated with our calculations,and the simulations of the updated model are in excellent agreement with the reported ignition delay time of MP/O2/Ar and MP/Air *** sensitivity analysis indicates that the H-abstraction reactions,MP+H-CH_(3)CH_(2)CHCH_(2)C(-O)OCH_(3)/CH_(3)CHCH_(2)CH_(2)C(-O)OCH_(3)+H2,are critical in controlling the initial fuel consumption and ignition delay time of MP.

关键词： Methyl pentanoate H-Abstraction Dual-level MS-T Ignition delay time Kinetic modeling

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Effects of Fibers on the Dynamic Properties of Asphalt Mixtures

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Journal of Wuhan University of Technology(Materials Science) 2007年第4期22卷 733-736页

作者：吴少鹏 Key Laboratory of Silicate Materials Science and Engineering of Ministry of Education(Wuhan University of Technology)

The dynamic characteristics of fiber-modified asphalt mixture were investigated. Cellulose fiber, polyester fiber and mineral fiber were used as additives for asphalt mixture, and the dosage was 0.3%, 0.3%, 0.4%, respectively. Dynamic modulus test using SuperPave simple performance tester （SPT） was conducted to study the dynamic modulus （E＇） and phase angle （δ） for the control asphalt mixture and fiber-modified ones at various temperatures and frequencies. Experimental results show that all fiber-modified asphalt mixtures have higher dynamic modulus compared with control mixture. The dynamic modulus master curves of each type of asphalt mixtures are determined based on nonlinear least square regression in accordance with the time- temperature superposition theory at a control temperature （21.1℃）. The fatigue parameter E^＊×sinδ and rutting parameter E^＊/sinδ of asphalt mixture are adopted to study the fatigue and rutting-resistance properties, and experimental results indicate that such properties can be improved by fiber additives.

关键词： fiber asphalt mixture dynamic modulus phase angle master curve

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The shadow and gamma-ray bursts of a Schwarzschild black hole in asymptotic safety

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Communications in Theoretical Physics 2025年第2期77卷 121-131页

作者： Yuxuan Shi hongbo Cheng Department of Physics East China University of Science and Technology The Shanghai Key Laboratory of Astrophysics

The effects and rules of the dimensionless parameter ξ on neutrino annihilation v+■→e-+e+dominated gamma-ray bursts are analysed and investigated within the context of black holes in asymptotic *** also computationally model photon orbits around black holes,as photons and neutrinos have the same geodesic equations near black *** show that the black hole shadow radius decreases with increasing ξ.Calculations are made to determine the temperature of the accretion disk surrounding the black hole and the ratio ■Newtof energy deposition per unit time and compared to that of the Newtonian *** accretion disk temperature peaks at a higher temperature due to quantum gravity corrections,which increases the probability of neutrino emission from the black *** is interesting to note that larger quantum gravity effects cause the ratio value to significantly *** the neutrinoantineutrino annihilation process,the energy deposition rate is sufficient even while the energy conversion is inhibited because of quantum ***-ray bursts might originate from the corrected annihilation ***,we examine the derivative d■/dr about the star radius *** findings demonstrate that the ratio is lowered by the black hole's quantum *** neutrino pair annihilation grows weaker the more prominent the influence of quantum gravity.

关键词： quantum gravity black hole gamma-ray burst

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Impulsive thrust strategy for orbital pursuit-evasion games based on impulse-like constraint

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Chinese Journal of Aeronautics 2025年第1期38卷 520-536页

作者： hongbo WANG Yao ZHANG Hao LIU Kunpeng ZHANG School of Aerospace Engineering Beijing Institute of TechnologyBeijing 100081China National Key Laboratory of Space Intelligent Control Beijing Institute of Control EngineeringBeijing 100094China

This paper proposes a novel impulsive thrust strategy guided by optimal continuous thrust strategy to address two-player orbital pursuit-evasion game under impulsive thrust *** strategy seeks to enhance the interpretability of impulsive thrust strategy by integrating it within the framework of differential game in traditional continuous ***,this paper introduces an impulse-like constraint,with periodical changes in thrust amplitude,to characterize the impulsive thrust ***,the game with the impulse-like constraint is converted into the two-point boundary value problem,which is solved by the combined shooting and deep learning method proposed in this *** learning and numerical optimization are employed to obtain the guesses for unknown terminal adjoint variables and the game terminal ***,the accurate values are solved by the shooting method to yield the optimal continuous thrust strategy with the impulse-like ***,the shooting method is iteratively employed at each impulse decision moment to derive the impulsive thrust strategy guided by the optimal continuous thrust *** examples demonstrate the convergence of the combined shooting and deep learning method,even if the strongly nonlinear impulse-like constraint is *** effect of the impulsive thrust strategy guided by the optimal continuous thrust strategy is also discussed.

关键词： Orbital pursuit-evasion game Differential game Impulsive thrust Deep learning Shooting method

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乙苯裂解机理和超临界压力下的动力学模拟

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高等学校化学学报 2014年第3期35卷 576-581页

作者：李颖丽甯红波朱权李象远四川大学化工学院成都610065

基于乙苯燃烧机理的去氧处理获得的乙苯裂解机理,采用QRRK/MSC算法代码对小分子产物的高压裂解相关参数进行改进,构建了高压条件下乙苯裂解的136个物种及626步反应的机理.在超临界压力和高温条件下的动力学模拟表明,乙苯裂解机理的气相... 详细信息

基于乙苯燃烧机理的去氧处理获得的乙苯裂解机理,采用QRRK/MSC算法代码对小分子产物的高压裂解相关参数进行改进,构建了高压条件下乙苯裂解的136个物种及626步反应的机理.在超临界压力和高温条件下的动力学模拟表明,乙苯裂解机理的气相分子产率和转化率的模拟结果与实验结果相吻合.采用敏感度分析对机理的控速步骤进行验证,考察了机理中的关键反应,结果表明本机理能较好地预测高压实验结果,可应用于超临界裂解换热的计算模拟.

关键词：乙苯热裂解机理动力学模拟 QRRK MSC算法代码路径分析

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The human limb cell atlas:charting uncharted territories and setting sail on the new voyage of limb development research

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Science Bulletin 2025年第1期70卷 10-13页

作者： Bao Zhang hongbo Zhang The Key Laboratory for Stem Cells and Tissue Engineering Ministry of EducationZhongshan School of MedicineSun Yat-sen UniversityGuangzhou 510080China Advanced Medical Technology Center The First Affiliated HospitalZhongshan School of MedicineSun Yat-sen UniversityGuangzhou 510080China Medical College of Jiaying University Meizhou 514015China The SYSU-Perfect Diary Joint Skin Science Research Laboratory Sun Yat-sen UniversityGuangzhou 510080China

The vertebrate limb development serves as an excellent model in morphology,developmental biology,and evolutionary studies owing to its remarkable morphological and functional *** and hindlimbs originate from the lateral plate mesoderm(LPM),located along the embryo’s flank,with the initiation of differential expression of the transcription factors TBX5 for the forelimb and TBX4 and PITX1 for the ***,limbs emerge as small buds comprising an undifferentiated mesodermal core covered by a layer of ectoderm[1].

关键词： limbs limb remarkable

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正丙苯高温氧化机理的分子动力学模拟研究

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高等学校化学学报 2023年第11期44卷 100-110页

作者：周子豪王思皓黄玳川刘波甯红波西南交通大学材料先进技术教育部重点实验室成都610031

正丙苯是Jet A、 Jet A-1及国产RP-3航空煤油中芳香烃的典型替代组分.本文采用基于反应力场的分子动力学模拟研究了正丙苯高温氧化过程的主要反应网络、主要产物的形成机理以及在不同温度、密度和当量比条件下正丙苯氧化主要产物的分布... 详细信息

正丙苯是Jet A、 Jet A-1及国产RP-3航空煤油中芳香烃的典型替代组分.本文采用基于反应力场的分子动力学模拟研究了正丙苯高温氧化过程的主要反应网络、主要产物的形成机理以及在不同温度、密度和当量比条件下正丙苯氧化主要产物的分布规律,并结合反应动力学理论计算了正丙苯高温氧化的速率常数.结果表明,正丙苯高温氧化主要发生在烷基侧链,包括6种C—C和C—H键断裂单分子分解反应以及3种侧链氢原子与氧气或其它小自由基的氢提取反应,其中与苄基相连的C—C键具有最小断键能,是最重要的单分子分解反应,而不同位点的自由基氢提取反应的贡献相似;体系的模拟温度和密度/压力与正丙苯的氧化速率呈正相关,但当量比对氧化速率的影响则严重依赖于体系温度.计算所得正丙苯高温氧化表观活化能和指前因子与文献报道的实验值相比在可接受的范围内.

关键词：正丙苯反应机理高温氧化反应力场分子动力学模拟

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Covalent organic framework materials with advanced topologies for efficient methane adsorption

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Science China Materials 2025年

作者： Xuwen Peng Hao Zhang hongbo Zeng Department of Chemical and Materials Engineering Tsinghua University Department of Chemical and Materials Engineering University of Alberta

Methane, as the main component of natural gas, is a key transitional fuel resource due to its abundance and relatively low carbon emissions, aligning with global carbon neutrality objectives[1]. Traditional natural gas storage methods, such as liquefied and compressed natural gas, require costly infrastructure and high-pressure conditions.

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Territorial Ecological Restoration with a High-carbon Storage Focus in the Beibu Gulf Urban Agglomeration of China:Insights from Carbon Metabolism Spatial Security Patterns

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Chinese Geographical Science 2025年第1期35卷 73-91页

作者： QIN Menglin LIU Yuting TAN Qianxi ZHU Ziming WU Xinyu JIANG hongbo LI Hang SHI Qianqian School of Civil Engineering and Architecture Guangxi UniversityNanning 530004China School of Forestry Guangxi UniversityNanning 530004China Ecosystem Science and Management Program University of Northern British ColumbiaPrince George V2N 4Z9Canada Zhuhai Institute of Planning and Design Zhuhai 519000China

This study focuses on urgent research on restoring and enhancing carbon storage capacity in the Beibu Gulf Urban Agglomer-ation of China,a key area in the‘Belt and Road’Initiative,which aligns with carbon peaking and neutrality *** research ana-lyzes the spatial characteristics of carbon metabolism from 2000 to 2020 and uses models to identify stable carbon sink areas,positive carbon flow corridors,and carbon sequestration *** goal is to construct a carbon metabolism spatial security pattern(CMSSP)and propose territorial ecological restoration strategies under different development demand *** results show the following:1)in 2020,the study area’s carbon sink decreased by 8.29×10^(4) t C/yr compared with that in 2010 and by 10.83×10^(4) t C/yr compared with that in ***-carbon sinks were found mainly in mountainous areas,whereas low-carbon sinks are concentrated in urban con-struction land,rural residential areas,and land margins.2)From 2000 to 2020,the spatial security pattern of carbon metabolism tended to be‘high in the middle of the east and west and low in the gulf.’In 2000,2010,and 2020,16 stable carbon sinks were *** carbon energy flow density in Guangxi was greater than that in Guangdong and Hainan,with positive carbon flow corridors located primarily in Guangxi and *** number of carbon sequestration nodes remained stable at approximately 15,mainly in Guangxi and Hainan.3)Scenario simulations revealed that under the Nature-based mild restoration scenario,the carbon sink rate will reach 611.85×10^(4) t C/yr by 2030 and increase to 612.45×10^(4) t C/yr by 2060,with stable carbon sinks increasing to *** the restora-tion scenario based on Anti-globalization,the carbon sink will decrease from 610.24×10^(4) t C/yr in 2030 to 605.19×10^(4) t C/yr in 2060,with the disappearance of some positive carbon flow corridors and stable carbon *** the Human-based sustainable restoration scenario,the carbon sink area wil

关键词： carbon metabolism spatial security pattern(CMSSP) territorial ecological restoration carbon sink carbon storage capacity Beibu Gulf Urban Agglomeration,China

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Assessing the data quality and seismic monitoring capabilities of the Belt and Road GNSS network

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Earthquake Science 2025年第1期38卷 56-66页

作者： Yu Li Yinxing Shao Tan Wang Yuebing Wang hongbo Shi Institute of Geophysics China Earthquake AdministrationBeijing 100081China China Earthquake Networks Center China Earthquake AdministrationBeijing 100045China

The Belt and Road global navigation satellite system(B&R GNSS)network is the first large-scale deployment of Chinese GNSS equipment in a seismic *** to this,there have been few systematic assessments of the data quality of Chinese GNSS *** this study,data from four representative GNSS sites in different regions of China were analyzed using the G-Nut/Anubis software *** main indicators(data integrity rate,data validity ratio,multi-path error,and cycle slip ratio)used to systematically analyze data quality,while evaluating the seismic monitoring capabilities of the network based on earthquake magnitudes estimated from high-frequency GNSS data are evaluated by estimating magnitude based on highfrequency GNSS *** results indicate that the quality of the data produced by the three types of Chinese receivers used in the network meets the needs of earthquake monitoring and the new seismic industry standards,which provide a reference for the selection of equipment for future new *** the B&R GNSS network was established,the seismic monitoring capability for earthquakes with magnitudes greater than M_(W)6.5 in most parts of the Sichuan-Yunnan region improved by approximately 20%.In key areas such as the Sichuan-Yunnan Rhomboid Block,the monitoring capability increased by more than 25%,which has greatly improved the effectiveness of regional comprehensive earthquake management.

关键词： Belt and Road multi-system GNSS data quality seismic monitoring capability

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