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1.
The Ramanujan Journal - The Gauss summation theorem and an extended $$_3F_2$$ -series of Watson and Whipple type are examined by means of power series expansions. Numerous Ramanujan-like series... 相似文献
2.
《中国物理 B》2021,30(7):76103-076103
It has been a long-standing puzzling problem that some glasses exhibit higher glass transition temperatures(denoting high stability) but lower activation energy for relaxations(denoting low stability). In this paper, the relaxation kinetics of the nanoconfined D-mannitol(DM) glass was studied systematically using a high-precision and high-rate nanocalorimeter.The nanoconfined DM exhibits enhanced thermal stability compared to the free DM. For example, the critical cooling rate for glass formation decreases from 200 K/s to below 1 K/s; the Tg increases by about 20 K–50 K. The relaxation kinetics is analyzed based on the absolute reaction rate theory. It is found that, even though the activation energy E~*decreases,the activation entropy S~*decreases much more for the nanoconfined glass that yields a large activation free energy G~*and higher thermal stability. These results suggest that the activation entropy may provide new insights in understanding the abnormal kinetics of nanoconfined glassy systems. 相似文献
3.
Based on the quasi-classical trajectory (QCT) method and Matlab GUI technology, we developed a program code for visualizing the collision process of the elementary chemical reactions of the a + bc type. The general methodology of QCT, abstraction of dynamical properties of molecular collisions and the making of Graphical User Interface are introduced. The running results of an application to the reaction F + HCl→HF + Cl is also presented. The results showed that this program could vividly demonstrate the behavior and final state of the atom-diatom collision process in animated form. Students can interact with internal MATLAB code through graphical user interface, observe the reactive behavior and final results in real-time from multiple angles, which helps students to understand the complex reaction mechanism and deepen their perceptual impression of the chemical process at a microscopic atomic/molecular level. 相似文献
4.
Long Lin Jingtao Huang Weiyang Yu Chaozheng He Hualong Tao Yonghao Xu Linghao Zhu Pengtao Wang Zhanying Zhang 《理论物理通讯》2020,72(3):35501-82
Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption. 相似文献
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基于Aguado等人拟合的APW势能面(PES), 运用准经典轨线(QCT)方法, 对反应Li+HF(ν=0, j=0)→LiF+H的动力学性质进行了计算. 主要研究了不同碰撞能条件下的反应截面、转动取向、产物散射角分布和竞争反应模式等. 结果表明, 该反应存在直接提取型和间接插入型两种反应模式, 在低能量下反应以间接插入反应模式为主, 能量大于200 meV时则以直接提取反应为主. 相似文献
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Dynamic response performance of proton exchange membrane (PEM) fuel cells affects its durability and reliability significantly. In this study, electrodeposited RuO2 xH2O-Pt/C was prepared to promote the PEM fuel cell dynamic response performance. The prepared RuO2 xH2O-Pt/C was characterized by scanning electron microscopy (SEM) equipped with energy disperse spectroscopy (EDS), which shows that RuO2 xH2O was electrodeposited on the surface of Pt/C. Performance of single cells with and without RuO2 xH2O-Pt/C at the cathode under a certain operating condition was studied using cyclic voltammetry, electrochemical impedance spectra (EIS) and polarization curve techniques. When the fuel cell modified with RuO2 xH2O-Pt/C was operated at lower pressure, a faster and more stable dynamic response could be found. Modifying with RuO2 xH2O-Pt/C composite material not only slightly increases the single cell performance but also dramatically improves the dynamic response performance, revealing that RuO2 xH2O-Pt/C can buffer the voltage undershoot whenever the current increases instantly. 相似文献
9.
Series of nanocomposites with γ-Fe2O3 supported on SiO2-capsules were prepared by adsorption of hydrophobic iron acetylacetonate on the hydrophilic surface of SiO2-capsules in the evaporation process of the solvent and then calcination the complex at 450 °C. The adsorption and calcination conditions were studied and the resultant nanaoparticles were characterized by XRD, XRF and TEM in detail. The results indicated that γ-Fe2O3 loaded discontinuously but uniformly on the surface of SiO2-capsules at appropriate content. The specific surface area characterization and doxorubicin hydrochloride release shown although the surface area of the target composites decreased slightly, the nanoparticles still had large potential using as drug delivery and magnetic targeting system. 相似文献
10.
Zihang Huang Shaoxu Wang Hui Li Shihui Zhang Zhicheng Tan 《Journal of Thermal Analysis and Calorimetry》2014,115(1):259-266
Polyaniline/rare earth oxide composites (PANI/La2O3 and PANI/Sm2O3) were synthesized by in situ polymerization at the presence of sulfosalicylic acid (as dopant). The composites obtained were characterized by Fourier transform infrared spectra (FTIR), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The thermal stability of the composites was investigated by thermogravimetry (TG) and derivative thermogravimetry (DTG). The electrochemical performance of the composites was investigated by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The results of FTIR, XRD, SEM, CV, and EIS show that the structure of composite has changed greatly when rare earth oxide content is >0.7 g (PANI/La2O3[w/w(92.7/7.3)] and PANI/Sm2O3[w/w(96.2/3.8)]) and the PANI in the composite has transformed into pernigraniline base (non-conducting state) from emeraldine base (conducting state). TG-DTG analysis indicates that the thermal stability of composite was higher than pure PANI, which is attributed to the interaction between PANI and rare earth oxide. 相似文献