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171.
Zi‐Yi Yu Han Lai Wen‐Juan Zhao Rui Wu Xue‐Sen Liu Li‐Hua Gan 《International journal of quantum chemistry》2017,117(19)
To elucidate the structure of a compound is a necessary step for its practical applications. To study the structure and properties of metal sulfide fullerene Sc2S@C88 detected by mass spectrometry, 11 194 isomers of C88 and 33 isomers of Sc2S@C88 were systematically examined by density functional theory calculations. The calculations show that the two lowest‐energy isomers are Sc2S@C88:81 738 (IPR‐35) and Sc2S@C88:81 735 (IPR‐32), followed by Sc2S@C88:81 729 (IPR‐26), Sc2S@C88:81 712 (IPR‐9), and Sc2S@C88:81 733 (IPR‐30). Structural analysis shows that the first two energetically favored isomers are bridged by the third and fifth energetically favored isomers, which can transfer into each other via direct Stone–Wales rotation. The calculations of temperature effect show that the first two favored isomers become dominant forms of Sc2S@C88 with decreasing temperature and may coexist in the soot. This structural convertibility among favored isomers of Sc2S@C88 suggest a hidden rule that birds of a feather flock together in metal sulfide fullerenes. This rule may decrease the range of candidate cages for the structural identification of a metal sulfide fullerene. IR spectra are simulated for helping the future experimental identification of Sc2S@C88. 相似文献
172.
The identification of the vibration control system parameters designed for continuous miner machines
The Continuous Miner machines are exposed to time dependent loads during normal operation of the rock cutting process. These loads cause vibrations, which have a negative influence on the whole structure of the machine. This phenomenon can be eliminated by applying passive or active vibration control systems (VCS). Generally these systems are coupled with additional elements, which provide dispersion or transfer energy. The energy thus acquired can also reinforce the intended function such as rock cutting operation in the case of mining machines. The objective of this paper is to present the method of numerical identification of VCS parameters for Continuous Miner machines. The main function of the presented system is to reduce displacement of cutting drum by using elastic element joined to machine chassis and applying appropriate algorithm of control of the angular velocity of cutting drum. The method described improves efficiency of mining and increases durability of machine. In order to determine mechanical and control parameters of VCS the genetic algorithm optimisation method conjugated with numerical modal analysis was used. Finally the transient dynamic analysis was performed for the full-scale model of Continuous Miner in order to verify VCS in normal working condition. 相似文献
173.
考虑如下Kirchhoff型问题{-(a+b∫RN︱▽u︱2dx)△u+V(x)u=f(x,u)u∈H1(RN)在RN上,通过山路引理,喷泉定理和对称山路引理得到问题非平凡解的存在性和多解性. 相似文献
174.
Yunyun Shi Lina Shao Jinghui Yang Ting Huang Yonghong Wang Nan Zhang Yong Wang 《先进技术聚合物》2013,24(1):42-50
In this work, a novel nucleating agent (NA) based on substituted‐aryl phosphate salts was introduced into poly(L‐Lactide) (PLLA). The nonisothermal and isothermal crystallization behaviors of nucleated PLLA samples were investigated through differential scanning calorimetry (DSC), wide angle X‐ray diffraction, and polarized optical microscope (POM). Furthermore, the effect of annealing treatment on the cold crystallization behaviors of nucleated samples was also investigated. The results show that the crystallization of PLLA, whether for the melt crystallization (including nonisothermal and isothermal crystallization process) or for the cold crystallization (including the cold crystallization occurring during the DSC heating process and during the annealing process), is greatly dependent upon the content of NA. At relatively lower NA content (≤0.1 wt%), the nucleation effect of NA is inconspicuous, however, at higher NA content (≥0.2 wt%), it exhibits great nucleation effect for the crystallization of PLLA. Further results show that the double endothermic peak of PLLA depends on the temperature applied for the crystallization. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
175.
The flammability and the thermal oxidative degradation kinetics of expandable graphite (EG) with magnesium hydroxide (MH) in flame‐retardant polypropylene (PP) composites were studied by limiting oxygen index (LOI), UL‐94 test, and thermogravimetric analysis (TGA). The results show that EG is a good synergist for improving the flame retardancy of PP/MH composite and the effect is enhanced with decreasing EG particle size. The Kissinger method and Flynn‐Wall‐Ozawa method were used to determine the apparent activation energy (E) for degradation of PP and flame retarded PP composites. The data obtained from the TGA curve indicate that EG markedly increases the thermal degradation temperature of PP/MH composites and improves the thermal stability of the composites. The kinetic results show that the values of E for degradation of flame retarded PP composites is much higher than that of neat PP, especially PP/MH composites with suitable amount of EG, which indicates that the flame retardants used in this work have a great effect on the mechanisms of pyrolysis and combustion of PP. 相似文献
176.
Pure (Na0.50K0.50)0.95(Li0.05Sb0.05Nb0.95)O3 (NKNLS) and CuO doped NKNLS perovskite structured ferroelectric ceramics were prepared by the solid-state reaction method. x wt% of CuO (x = 0.2–0.8 wt%) was added in the NKNLS ceramics. X-ray diffraction patterns indicate that single phase was formed for pure NKNLS while a small amount of second phase (K6Li4Nb10O30 ∼ 3%) was present in Cu2+ doped NKNLS ceramics. Dielectric anomalies around the temperatures of 120 °C and 350 °C have been identified as the ferroelectric–paraelectric transition (orthorhombic to tetragonal and tetragonal to cubic) temperatures for pure NKNLS compound. The electrical behavior of the ceramics was studied by impedance study in the high temperature range. Impedance analysis has shown the grain and grain boundary contribution using an equivalent circuit model. The impedance response in pure and Cu2+ doped NKNLS ceramics could be resolved into two contributions, associated with the bulk (∼grains) and the grain boundaries. From the conductivity studies, it is found that activation energies are strongly frequency dependent. The activation energy obtained from dielectric relaxation data may be attributed to oxygen ion vacancies. 相似文献
177.
Yi-Bo Li Jin-Zhou Zhao Wan-Fen Pu Hu Jia Huan Peng Dong Zhong Sheng-Kui Wang 《Journal of Thermal Analysis and Calorimetry》2013,113(2):579-587
This research aimed at the investigation of the effect of different metallic additive on the combustion and kinetic behavior of crude oil. For this purpose, the thermal behavior of the oil-only and oil–metallic salts mixtures were studies by the thermogravimetry (TG)/derivative thermogravimetry and differential scanning calorimetry (DSC) on heating rate at 10 °C min?1. The result shows that Dagang crude oil exhibited apparent low temperature oxidation (LTO), fuel deposition, and high temperature oxidation processes. With the addition of metallic salts, the LTO process has been shortened and samples added CuSO4, CrCl3·6H2O, and AlCl3·6H2O achieved a much lower peak temperature than that of oil. Based on the Arrhenius model, metallic additives were proven to have obvious influence on the combustion activation energy. And, by comprehensive analysis of TG/DSC profile and activation energy, ZnSO4 exhibited a positive influence on light crude oil combustion during the high pressure air injection process. 相似文献
178.
以甲苯为溶剂,正辛基三乙氧基硅烷(OTS)为改性剂,进行了ZSM-5高硅分子筛疏水改性研究。通过傅立叶红外(FT-IR)、X射线粉末衍射(XRD)、N2吸附-解吸附、静态水接触角、水与正己烷的静态吸附,以及水热稳定性试验等测试了改性前后样品结构与性能。结果表明,通过硅烷化改性在ZSM-5上接枝了-Si(CH2)7CH3基团,并实现了超疏水性。当0.8g ZSM-5使用0.24g改性剂时,改性后分子筛的接触角达152°,水吸附量下降了1.49%,比表面积、孔容、孔径分别减小了62.7m2/g、0.0329cm3/g、0.42nm,孔道长程有序性有所降低,且具有较高的水热稳定性。 相似文献
179.
180.
Intensive research in the last two decades on the degradation of commercial plastics has led to the development of new methods of degradation and innumerable experimental techniques to characterize the degraded products. During the period 1970–1980, there have been substantial advances in most of the important aspects of polymer degradation including that induced by heat, light, oxygen, high energy radiation, photooxidation, and biological factors; and accounts have been given at various times of the current position in most of these [1–30]. 相似文献