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Construction of core@double-shell structured energetic composites with simultaneously enhanced thermal stability and safety performance
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作者 Peng Wang Wen Qian +6 位作者 Ruolei Zhong Fangfang He Xin Li Jie Chen Li Meng Yinshuang Sun Guansong He 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第4期134-142,共9页
The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricat... The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above issues.The coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer shell.The resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer shell.The phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene composites.Meanwhile,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell structure.In general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials. 展开更多
关键词 CL-20 Double-shell structure thermal stability Safety performance Tannic acid Graphene sheets
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A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing
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作者 Huajing Zong Nan Kang +1 位作者 Zehao Qin Mohamed El Mansori 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第5期1048-1071,共24页
The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF mak... The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced. 展开更多
关键词 additive manufacturing laser powder bed fusion tool steel multi-scaled structure mechanical properties thermal properties
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Thermal-Fluid-Structure Coupling Analysis of Flexible Corrugated Cryogenic Hose 被引量:1
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作者 YANG Liang LIU Miao-er +6 位作者 LIU Yun LI Fang-qiu FAN Jia-kun LIU Fu-peng LU Zhao-kuan YANG Jian-ye YAN Jun 《China Ocean Engineering》 SCIE EI CSCD 2022年第4期658-665,共8页
This work presents a numerical investigation of the thermal–fluid–structure coupling behavior of the liquid natural gas(LNG)transported in the flexible corrugated cryogenic hose.A three-dimensional model of the corr... This work presents a numerical investigation of the thermal–fluid–structure coupling behavior of the liquid natural gas(LNG)transported in the flexible corrugated cryogenic hose.A three-dimensional model of the corrugated hose structure composed of multiple layers of different materials is established and coupled with turbulent LNG flow and heat transfer models in the commercial software ANSYS Workbench.The flow transport behavior,heat transfer across the hose layers,and structural response caused by the flow are analyzed.Parametric studies are performed to evaluate the impacts of inlet flow rate and thermal conductivity of insulation material on the temperature and structural stress of the corrugated hose.The study found that,compared with a regular operating condition,higher inlet flow velocities not only suppress the heat gain of the LNG but also lower the flow-induced structural stress.The insulation layer exhibits excellent performance in maintaining the temperature at the fluid–structure interface,showing little temperature change with respect to material thermal conductivity and ambient temperature.The simulation results may contribute to the research and design of the flexible corrugated cryogenic hoses and provide guidance for safer and more efficient field operations. 展开更多
关键词 flexible corrugated cryogenic hose LNG computational fluid dynamics thermal–fluid–structure coupling
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Highly Thermally Conductive and Structurally Ultra‑Stable Graphitic Films with Seamless Heterointerfaces for Extreme Thermal Management
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作者 Peijuan Zhang Yuanyuan Hao +17 位作者 Hang Shi Jiahao Lu Yingjun Liu Xin Ming Ya Wang Wenzhang Fang Yuxing Xia Yance Chen Peng Li Ziqiu Wang Qingyun Su Weidong Lv Ji Zhou Ying Zhang Haiwen Lai Weiwei Gao Zhen Xu Chao Gao 《Nano-Micro Letters》 SCIE EI CSCD 2024年第3期383-397,共15页
Highly thermally conductive graphitic film(GF)materials have become a competitive solution for the thermal management of high-power electronic devices.However,their catastrophic structural failure under extreme altern... Highly thermally conductive graphitic film(GF)materials have become a competitive solution for the thermal management of high-power electronic devices.However,their catastrophic structural failure under extreme alternating thermal/cold shock poses a significant challenge to reliability and safety.Here,we present the first investigation into the structural failure mechanism of GF during cyclic liquid nitrogen shocks(LNS),which reveals a bubbling process characterized by“permeation-diffusion-deformation”phenomenon.To overcome this long-standing structural weakness,a novel metal-nanoarmor strategy is proposed to construct a Cu-modified graphitic film(GF@Cu)with seamless heterointerface.This well-designed interface ensures superior structural stability for GF@Cu after hundreds of LNS cycles from 77 to 300 K.Moreover,GF@Cu maintains high thermal conductivity up to 1088 W m^(−1)K^(−1)with degradation of less than 5%even after 150 LNS cycles,superior to that of pure GF(50%degradation).Our work not only offers an opportunity to improve the robustness of graphitic films by the rational structural design but also facilitates the applications of thermally conductive carbon-based materials for future extreme thermal management in complex aerospace electronics. 展开更多
关键词 Highly thermally conductive structurally ultra-stable Graphitic film Extreme thermal management Liquid nitrogen bubbling
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Functionally graded structure of a nitride-strengthened Mg_(2)Si-based hybrid composite
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作者 Jeongho Yang Woongbeom Heogh +15 位作者 Hogi Ju Sukhyun Kang Tae-Sik Jang Hyun-Do Jung Mohammad Jahazi Seung Chul Han Seong Je Park Hyoung Seop Kim Susmita Bose Amit Bandyopadhyay Martin Byung-Guk Jun Young Won Kim Dae-kyeom Kim Rigoberto CAdvincula Clodualdo Aranas Jr Sang Hoon Kim 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第3期1239-1256,共18页
The ex-situ incorporation of the secondary SiC reinforcement,along with the in-situ incorporation of the tertiary and quaternary Mg_(3)N_(2) and Si_(3)N_(4) phases,in the primary matrix of Mg_(2)Si is employed in orde... The ex-situ incorporation of the secondary SiC reinforcement,along with the in-situ incorporation of the tertiary and quaternary Mg_(3)N_(2) and Si_(3)N_(4) phases,in the primary matrix of Mg_(2)Si is employed in order to provide ultimate wear resistance based on the laser-irradiation-induced inclusion of N_(2) gas during laser powder bed fusion.This is substantialized based on both the thermal diffusion-and chemical reactionbased metallurgy of the Mg_(2)Si–SiC/nitride hybrid composite.This study also proposes a functional platform for systematically modulating a functionally graded structure and modeling build-direction-dependent architectonics during additive manufacturing.This strategy enables the development of a compositional gradient from the center to the edge of each melt pool of the Mg_(2)Si–SiC/nitride hybrid composite.Consequently,the coefficient of friction of the hybrid composite exhibits a 309.3%decrease to–1.67 compared to–0.54 for the conventional nonreinforced Mg_(2)Si structure,while the tensile strength exhibits a 171.3%increase to 831.5 MPa compared to 485.3 MPa for the conventional structure.This outstanding mechanical behavior is due to the(1)the complementary and synergistic reinforcement effects of the SiC and nitride compounds,each of which possesses an intrinsically high hardness,and(2)the strong adhesion of these compounds to the Mg_(2)Si matrix despite their small sizes and low concentrations. 展开更多
关键词 Laser powder bed fusion Mg_(2)Si-SiC/nitride hybrid composite Both the thermal diffusion-and chemical reaction-based metallurgy Functionally graded structure Compositional gradient Wear resistance.
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Investigation on thermal characteristics and desensitization mechanism of improved step ladder-structured nitrocellulose
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作者 Cheng-kai Pu Yu Luan +1 位作者 Ming-jun Yi Zheng-gang Xiao 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第2期93-102,共10页
Nitrocellulose,or cellulose nitrate,has received considerable interest due to its various applications,such as propellants,coating agents and gas generators.However,its high mechanical sensitivity caused many accident... Nitrocellulose,or cellulose nitrate,has received considerable interest due to its various applications,such as propellants,coating agents and gas generators.However,its high mechanical sensitivity caused many accidents during its storage and usage in ammunition.In this work,two kinds of insensitive step ladderstructured nitrocellulose(LNC)with different nitrogen contents were synthesized.The products were characterized by FT-IR,Raman,XRD,SEM,elemental analysis,TGA,DSC,accelerating rate calorimeter analysis(ARC),and drop weight test to study their molecular structure,thermal characteristics and desensitization performance.Compared with raw nitrocellulose,LNC has a sharper exothermic peak in the DSC and ARC curves.The H50values of the two kinds of LNC increased from 25.76 to 30.01 cm for low nitrogen content and from 18.02 to 21.84 cm for high nitrogen content,respectively.The results show that the ladder-structure of LNC which provides regular molecular arrangement and a soft buffer made with polyethylene glycol could affect the energy releasing process of LNC and reduce the sensitivity of LNC.Insensitive LNC provides an alternative to be used as a binder in insensitive propellants formulation. 展开更多
关键词 NITROCELLULOSE DECOMPOSITION DESENSITIZATION Ladder structure thermal characteristic Polyethylene glycol
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Monolithic approach to thermal fluid-structure interaction withnonconforming interfaces
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作者 殷亮 蒋军成 张立翔 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2012年第2期211-222,共12页
This paper presents a monolithic approach to the thermal fluidstructure interaction (FSI) with nonconforming interfaces. The thermal viscous flow is governed by the Boussinesq approximation and the incompressible Na... This paper presents a monolithic approach to the thermal fluidstructure interaction (FSI) with nonconforming interfaces. The thermal viscous flow is governed by the Boussinesq approximation and the incompressible NavierStokes equations. The motion of the fluid domain is accounted for by an arbitrary LagrangianEulerian (ALE) strategy. A pseudosolid formulation is used to manage the deformation of the fluid do main. The structure is described by the geometrically nonlinear thermoelastic dynamics. An efficient data transfer strategy based on the Gauss points is proposed to guarantee the equilibrium of the stresses and heat along the interface. The resulting strongly coupled set of nonlinear equations for the fluid, solution procedure. A numerical example efficiency of the methodology. structure, and heat is solved by a monolithic is presented to demonstrate the robustness and 展开更多
关键词 thermal fluid-structure interaction (FSI) nonconforming interface mono-lithic solution
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Structure optimization of the organ-pipe cavitating nozzle and its erosion ability test on hydrate-bearing sediments 被引量:1
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作者 Xiao-Ya Wu Yi-Qun Zhang +5 位作者 Zhen-Qiang Xu Shuai Zhao Gen-Sheng Li Shou-Ceng Tian Ya-Wen Tan Ke-Wen Peng 《Petroleum Science》 SCIE EI CAS CSCD 2023年第2期1104-1118,共15页
Cavitating jet is a promising drilling rate improvement technology in both the marine natural gas hydrate (NGH) fluidization exploitation method and the integrated radial jet drilling and completion method. In present... Cavitating jet is a promising drilling rate improvement technology in both the marine natural gas hydrate (NGH) fluidization exploitation method and the integrated radial jet drilling and completion method. In present study, we aim to improve the efficiency of jet erosion and extracting NGH. With a computational fluid dynamics (CFD) method, the pressure, velocity and cavitation field characteristics of organ-pipe cavitating jet (OPCJ) are analysed. The divergent angle, throat length, and divergent length of OPCJ nozzle are preferred to obtain stronger jet cavitation erosion effect. Laboratory experiments of gas hydrate-bearing sediments (GHBS) erosion by OPCJ and conical jet (CJ) are conducted to compare and validate the jet erosion performance. The impinging models of OPCJ and CJ are constructed to study the impact characteristics. Results show that the preferred values of divergent angle, throat length, and divergent length are 15°, 1d, and 3d, respectively, in present simulation conditions. For GHBS, the OPCJ possesses the advantages of high efficiency and low energy consumption. Moreover, the OPCJ has higher penetration efficiency, while showing equivalent penetration ability compared to CJ. During the impinging process, the OPCJ can induce stronger impact pressure and turbulence effect, and also shows stronger chambering effect and bottom cleaning ability compared to CJ. This study presents the erosion performance of OPCJ and CJ on GHBS, and provides preliminary insights on the potential field applications in NGH exploitation. 展开更多
关键词 Natural gas hydrate Cavitating jet structure optimization Computational fluid dynamics Experimental study
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The Effects of Thermal Radiation and Viscous Dissipation on the Stagnation Point Flow of a Micropolar Fluid over a Permeable Stretching Sheet in the Presence of Porous Dissipation 被引量:1
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作者 Muhammad Salman Kausar H.A.M.Al-Sharifi +1 位作者 Abid Hussanan Mustafa Mamat 《Fluid Dynamics & Materials Processing》 EI 2023年第1期61-81,共21页
In this paper,the effects of thermal radiation and viscous dissipation on the stagnation–point flow of a micropolar fluid over a permeable stretching sheet with suction and injection are analyzed and discussed.A suit... In this paper,the effects of thermal radiation and viscous dissipation on the stagnation–point flow of a micropolar fluid over a permeable stretching sheet with suction and injection are analyzed and discussed.A suitable similarity transformation is used to convert the governing nonlinear partial differential equations into a system of nonlinear ordinary differential equations,which are then solved numerically by a fourth–order Runge–Kutta method.It is found that the linear fluid velocity decreases with the enhancement of the porosity,boundary,and suction parameters.Conversely,it increases with the micropolar and injection parameters.The angular velocity grows with the boundary,porosity,and suction parameters,whereas it is reduced if the micropolar and injection parameters become larger.It is concluded that the thermal boundary layer extension increases with the injection parameter and decreases with the suction parameter. 展开更多
关键词 Micropolar fluid viscous dissipation stagnation point stretching sheet porous media thermal radiation
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Numerical Investigation on Fluid Structure Interaction Considering Rotor Deformation for a Centrifugal Pump 被引量:14
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作者 YUAN Shouqi PEI Ji YUAN Jianping 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2011年第4期539-545,共7页
The existing research for unsteady flow field and the corresponding flow induced vibration analysis of centrifugal pump are mainly carried out respectively without considering the interaction between fluid and structu... The existing research for unsteady flow field and the corresponding flow induced vibration analysis of centrifugal pump are mainly carried out respectively without considering the interaction between fluid and structure. The ignorance of fluid structure interaction (FSI) means that the energy transfer between fluid and structure is neglected. To some extent, the accuracy and reliability of unsteady flow and rotor deflection analysis should be affected by this interaction mechanism. In this paper, a combined calculation between two executables for turbulent flow and vibrating structure was established using two-way coupling method to study the effect of FSI. Pressure distributions, radial forces, rotor deflection and equivalent stress are analyzed. The results show that the FSI effect to pressure distribution in flow field is complex. The pressure distribution is affected not only around impeller outlet where different variation trends of pressure values with and without FSI appear according to different relative positions between blade and cutwater, but also in the diffusion section of volute. Variation trends of peak values of radial force amplitude calculated with and without FSI are nearly same under high flow rate and designed conditions while the peak value with FSI is slightly smaller, and differently, the peak value with FSI is larger with low flow rate. In addition, the effect of FSI on the angle of radial force is quite complex, especially under 0.5Q condition. Fluctuation of radial deflection of the rotor has obvious four periods, of which the extent is relatively small under design condition and is relatively large under off-design condition. Finally, fluctuations of equivalent stress with time are obvious under different conditions, and stress value is small. The proposed research establishes the FSI calculation method for centrifugal pump analysis, and ensures the existing affect by fluid structure interaction. 展开更多
关键词 centrifugal pump fluid structure interaction coupled solution unsteady turbulent flow basic theory
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Meso-Cenozoic lithospheric thermal structure in the Bohai Bay Basin,eastern North China Craton 被引量:5
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作者 Zongxing Li Yinhui Zuo +1 位作者 Nansheng Qiu Jun Gao 《Geoscience Frontiers》 SCIE CAS CSCD 2017年第5期977-987,共11页
The Bohai Bay Basin is a region where part of the North China Craton has been thinned and destroyed. It has experienced two periods of crustal thinning that occurred during the Cretaceous and Paleogene, but investigat... The Bohai Bay Basin is a region where part of the North China Craton has been thinned and destroyed. It has experienced two periods of crustal thinning that occurred during the Cretaceous and Paleogene, but investigations of its Mesozoic and Cenozoic lithospheric thermal structure are limited. Therefore, in this study,the distributions of mantle heat flow, crustal heat flow, and Moho temperatures during the Meso-Cenozoic are calculated based on analyses of the thermal history of the Bohai Bay Basin. The results indicate that the ratio of mantle heat flow to surface heat flow peaked during the late stages of the early Cretaceous and during the middle to late Paleogene. The corresponding mantle heat flow was more than 65% of the surface heat flow. Moho temperatures reached three peaks: 900-1100℃ in the late stages of the early Cretaceous;820-900℃ in the middle to late Paleogene; and(in the Linqing Depression, Cangxian Uplift, and Jizhong Depression) 770-810℃ during the early Neogene. These results reveal that the Bohai Bay Basin experienced significant geological change during the Cretaceous, including the transformation of lithospheric thermal structure from "cold mantle and hot crust" before the Cretaceous to "hot mantle and cold crust" after the Cretaceous. The results also indicate that the basin experienced two large-scale rifting events.Therefore, this work may provide the thermal parameters for further investigations of the geodynamic evolution of eastern China. 展开更多
关键词 Bohai BAY Basin LITHOSPHERIC thermal structure MESOZOIC MOHO temperature NORTH China CRATON
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Dynamic Analysis of Tension Leg Platform for Offshore Wind Turbine Support as Fluid-Structure Interaction 被引量:6
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作者 黄虎 张社荣 《China Ocean Engineering》 SCIE EI 2011年第1期123-131,共9页
Tension leg platform (TLP) for offshore wind turbine support is a new type structure in wind energy utilization. The strong-interaction method is used in analyzing the coupled model, and the dynamic characteristics ... Tension leg platform (TLP) for offshore wind turbine support is a new type structure in wind energy utilization. The strong-interaction method is used in analyzing the coupled model, and the dynamic characteristics of the TLP for offshore wind turbine support are recognized. As shown by the calculated results: for the lower modes, the shapes are water's vibration, and the vibration of water induces the structure's swing; the mode shapes of the structure are complex, and can largely change among different members; the mode shapes of the platform are related to the tower's. The frequencies of the structure do not change much after adjusting the length of the tension cables and the depth of the platform; the TLP has good adaptability for the water depths and the environment loads. The change of the size and parameters of TLP can improve the dynamic characteristics, which can reduce the vibration of the TLP caused by the loads. Through the vibration analysis, the natural vibration frequencies of TLP can be distinguished from the frequencies of condition loads, and thus the resonance vibration can be avoided, therefore the offshore wind turbine can work normally in the complex conditions. 展开更多
关键词 offshore wind turbine tension leg platform fluid structure interaction dynamic characteristics yaw resonance vibration
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Syntheses,Crystal Structures and Kinetic Mechanisms of Thermal Decomposition of Rare Earth Complexes with Schiff Base Derived from o-Vanillin and p-Toluidine 被引量:5
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作者 赵国良 冯云龙 温一航 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第3期268-275,共8页
Three complexes, [Pr(NO3)3(HL)2] (1), [Nd(NO3)3(HL)2] (2) and [Er(NO3)3(HL)2] ·0.5H2O (3), were synthesized from the reaction of a Schiff base ligand 2-[ (4-methylphenylimino)methyl ]-6-methox... Three complexes, [Pr(NO3)3(HL)2] (1), [Nd(NO3)3(HL)2] (2) and [Er(NO3)3(HL)2] ·0.5H2O (3), were synthesized from the reaction of a Schiff base ligand 2-[ (4-methylphenylimino)methyl ]-6-methoxyphenol (C15 H15 NO2, HL) with Ln(NO3)3·6H2O (Ln = Pr, Nd, Er). Characterization by single-crystal X-ray diffraction technique, elemental analysis, molar conductance, FT-IR, UV-Vis, ^1H NMR and thermal analysis shows the title complexes are neutral molecules where the central Ln( Ⅲ) ion is ten-coordinated in biapical anti-hexahedron prism geometry, with four oxygen atoms of the phenolic hydroxy and methoxy groups in the two bidentate Schiff base ligands and six oxygen atoms provided by the three bidentate NO3 - anions. Additionally, the kinetic mechanism of thermal decomposition of complex 3 was determined with a TG-DTG curves by both integral and differential methods. The functions of thermal decomposition reaction mechanism and the equation of kinetic compensation effect were obtained. 展开更多
关键词 O-VANILLIN P-TOLUIDINE Schiff base crystal structure kinetic mechanism of thermal decomposition rare earths
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Structure and Thermal Properties of Transition Metal Imidazole Chloride 被引量:4
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作者 建方方 仝玉萍 +2 位作者 肖海连 汪庆祥 焦奎 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第9期979-984,共6页
The X-ray single-crystal structure analyses have been determined for two metal imidazole chlorides: [Fe(Im)6]Cl24H2O 1 and [CuCl(Im)4]Cl 2 (Im = imidazole). The red crystal of compound 1 is of triclinic, space group P... The X-ray single-crystal structure analyses have been determined for two metal imidazole chlorides: [Fe(Im)6]Cl24H2O 1 and [CuCl(Im)4]Cl 2 (Im = imidazole). The red crystal of compound 1 is of triclinic, space group Pi with Mr = 607.31 (C18H32Cl2FeN12O4), a = 8.797(2), b = 9.068(2), c = 10.581(2) ? a = 75.35(3), ?= 83.20(3), ? = 61.85(3)o, V = 720.0(2) 3, Z = 1, Dc = 1.401 g/cm3, F(000) = 316, = 0.755 mm-1, R = 0.0353 and wR = 0.1227. The blue crystal of compound 2 belongs to monoclinic, space group P21/c with Mr = 406.77 (C12H16Cl2CuN8), a = 13.909(3), b = 8.8933(18), c = 15.086(7) ? ?= 118.32(2), V = 1642.7(9) 3, Z = 4, Dc = 1.645 g/cm3, F(000) = 828, = 1.666 mm-1, R = 0.0609 and wR = 0.1726. In solid state, both 1 and 2 form three-dimensional hydrogen bond networks to stabilize the structures which were also characterized by TG and elemental analyses. The thermal gravity (TG) data indicate that the residues are Fe and Cu for 1 and 2, respectively. 展开更多
关键词 imidazole ligand crystal structure chloride compound thermal property
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Hydrothermal Synthesis and Crystal Structure of a New Three-dimensional Heterometallic Coordination Polymer 被引量:5
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作者 薛丽平 李召好 苗少斌 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第6期791-796,共6页
A new 3d-4fheterometallic polymer {[Sm2Cu(PDC)2(SO4)2(H20)6]·2H2O}n 1 has been synthesized by Sm2O3, Cu(SO4)2·5H2O and pyridine-3,5-dicarboxylic acid under hydrothermal conditions. The compound cryst... A new 3d-4fheterometallic polymer {[Sm2Cu(PDC)2(SO4)2(H20)6]·2H2O}n 1 has been synthesized by Sm2O3, Cu(SO4)2·5H2O and pyridine-3,5-dicarboxylic acid under hydrothermal conditions. The compound crystallizes in triclinic system, space group Pi, with a = 6.352(7), b = 10.040(10), c = 10.315(11) A, α = 94.958(14), β = 95.556(7), γ = 99.747(14)°, V = 641.7(12)A3, Z = 1, M, = 1030.63, Dc= 2.651 Mg/m3,μ = 5.615 mm-1, F(000) = 491, the final R = 0.0491 and wR = 0.1345 for 2098 observed reflections with I 〉 2σ(I). The compound is a three-dimensional network structure in which infinite lanthanide-carboxylate chains are linked by [Cu($04)2]2- metalloligands to form a mixed-metal coordination network. 展开更多
关键词 hydrothermal synthesis crystal structure 3d-4fhybrid polymer thermal property
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Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Binuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole 被引量:7
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作者 李昶红 谭雄文 +1 位作者 李薇 杨颖群 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第2期289-292,共4页
One novel binuclear copper(Ⅱ) complex [Cu 2 (Hpt) 2 (CO 3) 2 (H 2 O) 2 ]·H 2 O with copper carbonate and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) was hydrothermally synthesized and characterized by IR a... One novel binuclear copper(Ⅱ) complex [Cu 2 (Hpt) 2 (CO 3) 2 (H 2 O) 2 ]·H 2 O with copper carbonate and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) was hydrothermally synthesized and characterized by IR and X-ray diffraction analysis.The complex crystallizes in triclinic,space group P2 1 /n with a=0.6862(1),b=0.7805(1),c=1.1983(2) nm,α=72.03(2),β=107.72(3),γ=75.28(2)o,V=0.5884 nm 3,D c=2.105 g/cm 3,Z=1,F(000)=357,GOOF=1.041,the final R=0.01859 and wR=0.04348.The whole molecule is composed of two cooper ions,two Hpt molecules,two carbonate and three water molecules,forming a binuclear structure.The crystal structure shows that the cooper ion is coordinated with three nitrogen atoms from two Hpt molecules,two oxygen atoms from one carbonic acid and one water molecule,forming a distorted square pyramidal geometry.The TG analysis result shows that the title complex is stable under 131.0 ℃. 展开更多
关键词 copper(Ⅱ) complex hydrothermal synthesis crystal structure thermal stability analysis
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Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance 被引量:2
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作者 Yumeng Zhang Yudan Zhu +4 位作者 AnranWang Qingwei Gao Yao Qin Yaojia Chen Xiaohua Lu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2019年第6期1403-1415,共13页
In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fund... In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fundamental mechanism underlying interfacial transport remains incompletely understood given the complexity of heterogeneous interfacial molecular interactions and the high nonideality of the fluid involved. Thus, understanding the effects of interface-induced fluid microstructures on flow resistance is the first step in further understanding interfacial transport. Molecular simulation has become an indispensable method for the investigation of fluid microstructure and flow resistance. Here, we reviewed the recent research progress of our group and the latest relevant works to elucidate the contribution of interface-induced fluid microstructures to flow resistance.We specifically focused on water, ionic aqueous solutions, and alcohol–water mixtures given the ubiquity of these fluid systems in modern chemical engineering processes. We discussed the effects of the interfaceinduced hydrogen bond networks of water molecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol–water mixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems. 展开更多
关键词 Process INTENSIFICATION Nanoconfined fluid Interface Complex fluids Micro structure MOLECULAR SIMULATION
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Synthesis,Crystal Structure and Thermal Decomposition of a New Energetic Potassium Salt of Bis(dinitromethyl)difurazanyl Ether 被引量:6
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作者 翟连杰 王伯周 +1 位作者 樊学忠 李祥志 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第9期1353-1359,共7页
A new energetic organic potassium salt bis(dinitromethyl)difurazanyl ether potas- sium salt [K2(BDFE)] was synthesized, and structurally characterized by elemental analysis, IR spectra, t3C NMR and single-crystal ... A new energetic organic potassium salt bis(dinitromethyl)difurazanyl ether potas- sium salt [K2(BDFE)] was synthesized, and structurally characterized by elemental analysis, IR spectra, t3C NMR and single-crystal X-ray diffraction. K2(BDFE) crystallizes in monoclinic system, space group C2/c with a = 17.342(3), b = 12.6943(17), c = 8.0972(11) A, β = 110.630(2)°, V = 1668.3(4) A3, Z = 4, Dc = 2.000 g/cm3, F(000) = 1000,μ= 0.675 mm-1, S = 1.058, the final R = 0.0499 and wR = 0.1452. The K ion is eight-coordinated with eight O atoms from one water molecule and four bis(dinitromethyl)difurazanyl ethers (BDFE), forming a distorted dodecahedral structure. Thermal decomposition of the title complex was studied by using DSC and TG-DTG. There are primarily two exothermic decomposition processes between 200 and 370 ℃. 展开更多
关键词 bis(dinitromethyl)difurazanyl ether synthesis crystal structure thermal decomposition
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Comparative Study of Magmatism in East Pacific Rise Versus Nearby Seamounts:Constraints on Magma Supply and Thermal Structure Beneath Mid-ocean Ridge 被引量:3
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作者 ZHANG Guoliang 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2011年第6期1286-1298,共13页
Major elements of 2202 basalts from the East Pacific Rise (EPR) and 888 basalts from near- EPR seamounts are used to investigate their differences in magma crystallization pressures and mantle melting conditions. Cr... Major elements of 2202 basalts from the East Pacific Rise (EPR) and 888 basalts from near- EPR seamounts are used to investigate their differences in magma crystallization pressures and mantle melting conditions. Crystallization pressure calculation from basalts with 5.0wt%〈MgO〈8.0wt % shows that magma crystallization pressures beneath near-EPR seamounts are positively and negatively correlated with Nas and Fes, respectively. However, these correlations are indistinct in axial lavas, which can be explained by chemical homogenization induced by extensive mixing processes. In each segment divided by major transforms and over-lapping spreading centers (OSCs), near-EPR seamount lavas have higher magma crystallization pressures, higher Fes and lower Nas than the EPR lavas, which indicate cooler lithosphere, lower degrees and shallower melting depths beneath near-EPR seamounts than the EPR. The correlations between magma crystallization pressures and melting conditions beneath near-EPR seamounts imply that the source thermal state controls the melting degree and melt flux, and then melting process controls the shallow lithosphere temperature and magma crystallization depth (pressure). The cooler mantle sources beneath near-EPR seamounts produce a lower degree of melting and a less robust magma supply, which results in a deep thermal equilibrium level and high magma crystallization pressure. The magma crystallization pressure decreases significantly as spreading rate of the EPR increases from ~80 mm/year in the north (16~N) to ~160 mm/year in the south (19~S), while this trend is unobvious in near-EPR seamounts. This suggests that the magma supply controlled by spreading rate dominates the ridge crust temperature and magma crystallization depth, while the near-EPR seamount magma supply is not dominated by the axial spreading rate. Because most seamounts form and gain most of their volume within a narrow zone of 5-15 km from ridge axis, they provide good constraint on magma supply and thermal structure beneath the EPR. High magma crystallization pressures in seamounts indicate dramatic temperature decrease from the EPR. The crystallization pressures of seamount lavas are well correlated with mantle melting parameters but in a blurry relationship with axial spreading rate. Despite the adjacency of the EPR and nearby seamounts, the thermal structure beneath the near-EPR seamounts are controlled by their own magma supply and conductive cooling, chemically and thermally unaffected by magmatism beneath the ridge axis. 展开更多
关键词 crystallization pressure magma supply thermal structure SEAMOUNT East Pacific Rise
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Synthesis,Crystal Structure, Thermal Decomposition and Sensitivity Properties of (AIM)(HTNR) and (AIM)(PA) 被引量:3
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作者 TANG Zhan, YANG Li, QIAO Xiao-jing, WU Bi-dong, ZHANG Tong-lai, ZHOU Zun-ning and YU Kai-bei State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2012年第1期4-8,共5页
Two new energetic compounds (AIM)(HTNR) and (AIM)(PA)(AIM=2-azidoimidazole, TNR=2,4,6-trini troresorcinol, PA=picric acid) have been prepared by AIM(2-azidoimidazolium) and TNR(2,4,6-trinitroresorcinol) ... Two new energetic compounds (AIM)(HTNR) and (AIM)(PA)(AIM=2-azidoimidazole, TNR=2,4,6-trini troresorcinol, PA=picric acid) have been prepared by AIM(2-azidoimidazolium) and TNR(2,4,6-trinitroresorcinol) or PA(picric acid) and characterized by elemental analysis and FTIR spectrum. Their crystal structures were determined by X-ray single-crystal diffraction analysis. The obtained results show that (AIM)(HTNR) crystal belongs to monoc linic, P21/c space group, a=1.1306(2) nm, b=0.70305(14) nm, c=1.7398(4) nm, β=106.91°, V=1.3231(5) nm3, Dc=1.778 g/cm3, Z=4, R1=0.0524, wR2[I 〉2σ(I)]=0.1067 and S=1.092 and (AIM)(PA) crystal belongs to monoclinic P21/c space group, a=0.80303(16) nm, b=0.81395(16) nm, c=2.0471(4) nm, β=93.93(3)°, V=1.3349(5) nm3, Dc=1.683 g/cm3, Z=4, R1=0.0784, wR2[I〉2σ(I)]=0.1814 and S=1.098. Both the compounds have electrostatic attraction and hy drogen bonds, which contribute to making the constructions more stable. The decomposition of the two compounds was studied via differential scanning calorimetry(DSC) and thermogravimetry-derivative thermogravimetry(TG-DTG) techniques at a heating rate of 10 oC/min, and the results show that both the compounds underwent one intensive exothermic decomposition stage. Sensitivity tests reveal that the title compounds were insensitive to friction and im pact and sensitive to flame and could be applied in potential pyrotechnics. 展开更多
关键词 2-Azidoimidazolium 2 4 6-Trinitroresorcinol Picric acid Crystal structure thermal decomposition
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