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1.
An electrostatic bond energy model is formulated to fit the enthalpies of formation and dipole moments of the alkanes and chloroalkanes. In this model, the charge distributions are calculated by an electrostatic approach similar to the "MSE" method, and the enthalpy of formation of a molecule is the sum of the bond energy terms plus the electrostatic energy of the interactions between the charges on all atoms. All parameters of this model are obtained by parameterization. The calculated dipole moments for 13 chloroalkanes and enthalpies of formation for 19 alkanes and non-geminal chloroalkanes agree with the determined values very well. To calculate the enthalpies of formation of geminal chloroalkanes, a correction mainly attributed to the van der Waals interactions in the geminal substituted group, about 24 kJ/mol per pair of geminal chlorine atoms, is introduced.  相似文献   
2.
Mn0.5Zn0.5Fe2O4 ferrite nanoparticles with tunable Curie temperature and saturation magnetization are synthesized using hydrothermal co-precipitation method. Particle size is controlled in the range of 54 to 135 Å by pH and incubation time of the reaction. All the particles exhibit super-paramagnetic behaviour at room temperature. Langevin’s theory incorporating the interparticle interaction was used to fit the virgin curve of particle magnetization. The low-temperature magnetization follows Bloch spin wave theory. Curie temperature derived from magnetic thermogravimetric analysis shows that Curie temperature increases with increasing particle size. Using these particles magnetic fluid is synthesized and magnetic characterization is reported. The monolayer coating of surfactant on particle surface is confirmed using thermogravimetric measurement. The same technique can be extended to study the magnetic phase transition. The Curie temperature derived using this measurement complies with the low-temperature magnetic measurement. The room-temperature and high-temperature magnetization measurements are also studied for magnetic fluid systems. The magnetic parameters derived for fluid are in good agreement with those obtained for the particle system.  相似文献   
3.
In this study, a coupled-channel (CC) analysis of the elastic and the inelastic scattering of 20.4 MeV polarized protons from a 64Zn target leading to the deformed 2 + , 3−, 22+2_2^+ states was performed. The CC potential parameters and the deformation parameters of the excited states corresponding to the best fit to the experimental differential cross-sections and the analysing powers data were determined. For 22+2_2^+ excited state, a mixed type was used and a good fit to the data was provided. The CC calculation results were compared to the pure distorted wave Born approximation (DWBA) calculation results which were calculated using the new parameters. All calculations were conducted using the computer code ECIS06.  相似文献   
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An all-fiber Yb-doped Q-switched fiber ring laser system is reported. The laser system uses an all-fiber M-Z interferometer which plays both roles of Qswitch and tunable filter. Theoretical analysis and primary experimental results are given. A continuous tuning range 6fover 7 nm (from 1035 nm to 1042 nm) and a very stable pulse train with repetition rates exceeding 3 kHz and pulse width of 1.1μs were obtained. The laser system shows low cavity loss and is stable.  相似文献   
7.
实验研究了微细圆管内凝结换热特性,实验中采用四种不锈钢管,其内径范围为289-997μm。基于实验结果, 分析了换热温差、蒸汽进口雷诺数Rein和管径对管内膜状凝结换热系数的影响,发现温差对管内膜状凝结换热的影响很小, Nu随蒸汽进口雷诺数Rein增加而增大,随管径减小而降低,而对流换热系数随管径减小而显著增大。  相似文献   
8.
采用窄带热敏液晶瞬态单色捕捉技术测量叶片全表面传热系数,以预先加热被测叶片并在主流中快速冷却的方法引入温度阶跃,利用3台3CCD(电荷耦合元件)相机对叶片表面的不同区域进行图像采集记录,将图像坐标转换至叶片空间坐标,通过后处理得到叶片表面传热系数。由实验结果分析可知,叶片前缘区域传热系数最大值位于加速最剧烈处,在吸力面...  相似文献   
9.
In this paper, we directly extend the applications of the Adomian decomposition method to investigate the complex KdV equation. By choosing different forms of wave functions as the initial values, three new types of realistic numerical solutions: numerical positon, negaton solution, and particularly the numerical analytical complexiton solution are obtained, which can rapidly converge to the exact ones obtained by Lou et al. Numerical simulation figures are used to illustrate the efficiency and accuracy of the proposed method.  相似文献   
10.
稀土-铱-锑合金热电材料的结构与量子化学计算研究   总被引:1,自引:0,他引:1  
应用离散变分Xa量子化学计算方法,研究了IrSb3,Ir4NdGe3Sb4和Ir4SmGe3Sb9三个skutterudites的组成、结构、化学键和热电性能之间的关系。对Ir4NdGe3Sb9和Ir4Sme3Sb9,用多个模型研究了稀土元素振动的结构。计算结果表明,稀土原子靠近Ge原子的模型比靠近Sb原子的模型更为稳定,热导率也较低。Ir4NdGe3Sb9的共价键比Ir4SmGe3Sb9弱,Ir  相似文献   
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