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基于ReaxFF的甲烷无氧转化气相机理研究 被引量:2
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作者 刘源 段增晖 +1 位作者 李隽 常春然 《物理化学学报》 SCIE CAS CSCD 北大核心 2021年第11期107-113,共7页
晶格限域的Fe■SiO_(2)催化剂在甲烷无氧直接转化生成乙烯的反应中表现出优异的性能。但由于反应条件苛刻,对该反应的分子机理研究一直存在较大的挑战。本文采用反应力场的方法模拟近反应条件下甲烷无氧直接转化气相机理,发现当气相只... 晶格限域的Fe■SiO_(2)催化剂在甲烷无氧直接转化生成乙烯的反应中表现出优异的性能。但由于反应条件苛刻,对该反应的分子机理研究一直存在较大的挑战。本文采用反应力场的方法模拟近反应条件下甲烷无氧直接转化气相机理,发现当气相只有甲基自由基存在时,很难产生高选择性乙烯产物。当在气相中加入氢自由基时,虽能在一定程度上增强甲烷的活化,但同样较难生成乙烯。高温下热裂解C_(10)H_(12)分子能同时产生氢自由基和乙烯分子,能合理地解释实验中加入C_(10)H_(12)分子可以在一定程度上提高乙烯选择性和甲烷转化率的现象。总之,甲烷无氧直接转化高选择性生成乙烯很难通过单纯的气相反应机理来实现,进而推断催化剂表面在甲烷活化和转化的整个过程中起着至关重要的作用。 展开更多
关键词 甲烷活化 无氧转化 气相机理 反应力场 计算模拟 热裂解反应
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环氧树脂体系阻燃技术的发展 被引量:12
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作者 李玉彬 张兴赢 +1 位作者 张佐光 仲伟虹 《合成树脂及塑料》 CAS 2002年第2期53-57,共5页
阐述了改善热固性环氧树脂体系阻燃性能的日的和意义,介绍了环氧树脂体系的阻燃方法,以气相机理和凝聚相机理为基础,讨论了几种常用阻燃剂的阻燃机理。分析了环氧树脂体系阻燃技术的研究现状,指出环氧树脂阻燃技术将向着安全化、复合功... 阐述了改善热固性环氧树脂体系阻燃性能的日的和意义,介绍了环氧树脂体系的阻燃方法,以气相机理和凝聚相机理为基础,讨论了几种常用阻燃剂的阻燃机理。分析了环氧树脂体系阻燃技术的研究现状,指出环氧树脂阻燃技术将向着安全化、复合功能化、新技术和研究系统化的趋势发展。 展开更多
关键词 环氧树脂 阻燃剂 阻燃机 气相机理 凝聚相机 热固性
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Failure Mechanism of CVD Coated Carbide Tools
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作者 庞思勤 《Journal of Beijing Institute of Technology》 EI CAS 1997年第1期67-71,共5页
Through systematically theoretical analysis and experimental research,the failure mechanism,of CVD(chemical vapor deposition) coated carbide tools in wear and fracture conditions was studied.On the basis of mechanism ... Through systematically theoretical analysis and experimental research,the failure mechanism,of CVD(chemical vapor deposition) coated carbide tools in wear and fracture conditions was studied.On the basis of mechanism analysis,the specific suitability of the coated tools for cutting conditions was revealed and clarified. 展开更多
关键词 coated cutting tool cemented carbide chemical vapor deposition failure mechanism
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Copper smelting mechanism in oxygen bottom-blown furnace 被引量:20
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作者 Qin-meng WANG Xue-yi GUO Qing-hua TIAN 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2017年第4期946-953,共8页
The SKS furnace is a horizontal cylindrical reactor similar to a Noranda furnace,however,the oxygen enriched air isblown into the furnace from the bottom.Mechanism model of the SKS process was developed by analyzing t... The SKS furnace is a horizontal cylindrical reactor similar to a Noranda furnace,however,the oxygen enriched air isblown into the furnace from the bottom.Mechanism model of the SKS process was developed by analyzing the smeltingcharacteristics deeply.In our model,the furnace section from top to bottom is divided into seven functional layers,i.e.,gas layer,mineral decomposition transitioning layer,slag layer,slag formation transitioning layer,matte formation transitioning layer,weakoxidizing layer and strong oxidizing layer.The furnace along the length direction is divided into three functional regions,that is,reaction region,separation transitioning region and liquid phase separation and settling region.These layers or regions play differentroles in the model in describing the mechanism of the smelting process.The SKS smelting is at a multiphase non-steady equilibriumstate,and the oxygen and sulfur potentials change gradually in the length and cross directions.The smelting capacity of the SKSprocess could be raised through reasonably controlling the potential values in different layers and regions. 展开更多
关键词 oxygen bottom-blown copper smelting MECHANISM multiphase equilibrium oxygen potential sulfur potential SKS process
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Study of modeling theory of multiphase gas distribution in exhaust process of automobile
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作者 臧杰 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2004年第6期675-678,共4页
According to experiments and the phenomena that tailpipes often have dirty particulate matter, this paper takes dynamic theory analysis as its study aim, beginning with the description method of multiphase gas distrib... According to experiments and the phenomena that tailpipes often have dirty particulate matter, this paper takes dynamic theory analysis as its study aim, beginning with the description method of multiphase gas distribution differential equation. According to the characteristics that exhaust gas will flow with high velocity in a tailpipe, it is supposed that gas mass that differ largely will layer when flowing with high velocity in a tailpipe. This means the exhaust gas is mixed with particulate matter, gas with large mass (CO2,HC,NOx) and gas with small mass (CO,H2O,N2,O2). The interface of two phase fluid will be become clearer as it flows in the pipe for a long distance. The fluid continuous equation between gas phase and solid phase and the mathematical relationship between the geometry parameter and the flowing are established by a multiphase gas flowing theory. Analyzing the interface and state of layers will provide a basic theory for developing a catalytic converter with high efficiency. 展开更多
关键词 AUTOMOBILE exhaust gas multiphase gas MODELING
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Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation
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作者 刘彤 王铁峰 +2 位作者 黄云龙 汪超 王金福 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2015年第6期954-961,共8页
Methylphenyldichlorosilane(MPDS, CH3C6H5 SiC l2) is an important silicone monomer for the synthesis of highperformance polymethylphenylsiloxane polymers. In this work, the mechanism of the synthesis of MPDS from methy... Methylphenyldichlorosilane(MPDS, CH3C6H5 SiC l2) is an important silicone monomer for the synthesis of highperformance polymethylphenylsiloxane polymers. In this work, the mechanism of the synthesis of MPDS from methyldichlorosilane and chlorobenzene by gas phase condensation was studied, and a kinetic model with 35 species and 58 elementary reactions was established. Experiments were carried out in a tubular reactor under a wide range of reaction conditions. The calculated mole fractions of the reactants and products were in a good agreement with the experimental results. A mechanism of the insertion of chloromethylsilylene into the C\Cl bond of chlorobenzene was proposed, which was proved to be the main pathway of MPDS production. The established kinetic model can be used in design and optimization of the industrial reactor for MPDS synthesis. 展开更多
关键词 Detailed kinetics METHYLPHENYLDICHLOROSILANE Chloromethylsilylene Gas phase condensation
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Internal flow structure,fault detection,and performance optimization of centrifugal pumps 被引量:8
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作者 Zhe-ming TONG Jia-ge XIN +3 位作者 Shui-guang TONG Zhong-qin YANG Jian-yun ZHAO Jun-hua MAO 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2020年第2期85-117,共33页
This review mainly summarizes the latest developments in the internal flow field and external characteristics of centrifugal pumps.In particular,the latest findings of centrifugal pumps focused on turbulence and cavit... This review mainly summarizes the latest developments in the internal flow field and external characteristics of centrifugal pumps.In particular,the latest findings of centrifugal pumps focused on turbulence and cavitation models,flow visualization methods,and fault detection based on noise and vibration.The external characteristics,cavitation,and vibration of the centrifugal pump were extensively discussed.In addition,advanced multi-objective optimization methods for improving impeller’s efficiency and reducing net positive suction head(NPSH)were briefed.Although some progress was made in this field,there remain many unsolved problems,such as monitoring and modeling of cavitation,rotational stall phenomenon,and discrepancies between simulation and measurement.In the future,researchers are encouraged to employ multi-dimensional flow visualization technologies and high-performance computing facilities to advance existing understandings on these issues and create new research directions. 展开更多
关键词 Centrifugal pump Two-phase flow CAVITATION Pressure pulsation Multi-objective optimization
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Boron nitride nanotube growth via boron oxide assisted chemical vapor transport-deposition process using LiNO3 as a promoter 被引量:2
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作者 Andrei T. Matveev Konstantin L. Firestein +4 位作者 Alexander E. Steinman Andrey M. Kovalskii Oleg I. Lebedev Dmitry V. Shtansky Dmitri Golberg 《Nano Research》 SCIE EI CAS CSCD 2015年第6期2063-2072,共10页
High-purity straight and discrete multiwalled boron nitride nanotubes (BNNTs) were grown via a boron oxide vapor reaction with ammonia using LiNO3 as a promoter. Only a trace amount of boron oxide was detected as an... High-purity straight and discrete multiwalled boron nitride nanotubes (BNNTs) were grown via a boron oxide vapor reaction with ammonia using LiNO3 as a promoter. Only a trace amount of boron oxide was detected as an impurity in the BNNTs by energy-dispersive X-ray (EDX) and Raman spectroscopies. Boron oxide vapor was generated from a mixture of B, FeO, and MgO powders heated to 1,150 ℃, and it was transported to the reaction zone by flowing ammonia. Lithium nitrate was applied to the upper side of a BN bar from a water solution. The bar was placed along a temperature gradient zone in a horizontal tubular furnace. BNNTs with average diameters of 30-50 nm were mostly observed in a temperature range of 1,280-1,320 ℃. At higher temperatures, curled polycrystalline BN fibers appeared. Above 1,320 ℃, the number of BNNTs drastically decreased, whereas the quantity and diameter of the fibers increased. The mechanism of BNNT and fiber growth is proposed and discussed. 展开更多
关键词 boron nit-ride nanotubes CVD lithium nitrate lithium borate BNNT growth mechanism
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