回转窑多粒径颗粒流动与偏析的DEM模拟与实验研究

为明晰回转窑内颗粒的运动行为及偏析机理,以绿豆、黄豆和黑豆为颗粒介质,依次对3种装填顺序下的颗粒流动过程进行离散元模拟与实验研究,以颗粒质量分数和平均粒度为判据,对颗粒偏析进行评价。结果表明,回转窑内颗粒流动区可分为自由滚落区、渗流呆滞区以及窑壁携带区,自由滚落区颗粒流速最大,而渗流呆滞区流速最小。窑内颗粒沿轴向输运过程发生径向偏析,形成夹层结构,小颗粒受渗流作用在渗流呆滞区中心形成内核,大粒径和中等粒径颗粒集中在自由滚落区和窑壁携带区。窑内颗粒力链分布不均匀,强力链分布于近窑壁区,弱力链分布于自由滚落区和渗流呆滞区,且渗流呆滞区力链细而密集。当窑头附近不同粒径颗粒存在轴向速度差时,颗粒在轴向发生掺混,并产生径向偏析。     

Improved Synthesis and Structure of 3-Carboxy-2-pyrazinecarbohydroxamic Acid

3-Carboxy-2-pyrazinehydroxamic acid was prepared by a one pot reaction starting from pyrazine-2,3-dicarboxylic anhydride with a high yield, and characterized by IR, Mass spectrum, 1H NMR and 13C NMR spectra and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pī with a=4.8659(10), b=7.4233(15), c=11.602(2), α=96.904(2), β=92.422(3), γ=107.454(2)°, V=395.51(14)3 , Z=2, Dc=1.689g/cm3 , F(000)=208, μ(MoKα)=0.149 mm-1 , the final R=0.0473 and wR=0.1306 for 2853 observed reflections (I>2σ (I)). A three-dimensional framework was assembled through intermolecular hydrogen bonding between water and 3-carboxy-2-pyrazine-carbohydroxamic acid molecules.     

固相金属亲和层析纯化全长人PPARγ重组蛋白

建立全长人PPARγ重组蛋白的固相金属亲和层析纯化方法.利用E.coli BL21 (DE3)细胞外源性表达出全长人PPARγ重组蛋白,采用固相金属亲和层析法纯化目标蛋白.通过考察咪唑浓度对纯化的影响,确定在8 mol/L尿素下,用含50 mmol/L咪唑的缓冲液冲洗,200mmol/L咪唑缓冲液洗脱,可获得纯度为95％的目标蛋白,透析复性后经放射配体受体饱和结合实验测定全长人PPARγ重组蛋白的解离常数Kd为106士6nmol/L.结果表明本文所建立的方法能够成功纯化出高纯度的目标蛋白,经复性后,可获得用于结构和功能研究的全长人PPARγ重组蛋白.     

抗癌新药德氮吡格及其衍生物的定量构效关系

按氢分类的分子电性距离矢量（Hydrogen-association classified molecular electronegafivity-distance vector,H-MEDV）是由4种类型原子间的相互作用得到的一种描述分子二维结构的拓扑描述子.本文根据H-MEDV来研究创新构型抗肿瘤药物德氮吡格（TNBG）及其衍生物活性与其结构之间的关系,利用多元线性回归和逐步回归,建立的4变量模型的相关系数R=0.862.对筛选后建立的模型用留一法交互检验的结果为Rcv=0.713,结果表明模型具有较好的预测能力和稳定性.     

Modelling effects of subgrid-scale mixture fraction variance in LES of a piloted diffusion flame

A posteriori analysis of the statistics of two large-eddy simulation (LES) solutions describing a piloted methane–air (Sandia D) flame is performed on a series of grids with progressively increased resolution reaching about 10.5 million cells. Chemical compositions, density and temperature fields are modelled with a steady flamelet approach and parametrised by the mixture fraction. The difference between the LES solutions arises from a different numerical treatment of the subgrid scale (SGS) mixture fraction variance – an important quantity of interest in non-premixed combustion modelling. In the first case (model I), the variance transport equation is solved directly, while in the second (model II), an equation for the square of the mixture fraction is solved, and the variance is computed from its definition. The comparison of the LES solutions is based on the convergence properties of their statistics with respect to the turbulence resolution length scale. The dependence of the LES statistics is analysed for velocity and the mixture fraction fields, and tested for convergence. For the most part, the statistics converge for the finest grids, but the variance of the mixture fraction shows some residual grid dependence in the high-gradient regions of the jet near field. The SGS variance given by model I exhibits realisability everywhere, whereas in regions of the flame model II is non-realisable, predicting negative variances. Furthermore, the LES statistics of model I exhibit superior convergence behaviour.     

三光气与酚制备三氯甲氧基甲酸芳酯研究

研究了不同取代酚与三光气的反应,得到七种未见报道的新化合物,以IR、MS、1H NMR、13C NMR对产物进行了表征,并探索得到合适的反应催化剂、反应物浓度配比、反应时间,讨论了酚上不同取代基对反应的影响,收率在78.5～90.5%之间。     

Tensor force effect on proton shell structure in neutron-rich Ca isotopes

In the framework of the Skyrme-Hartree-Fock approach with 36 sets of the TI J parameterizations,the tensor force effect on the evolution of the single-proton states in the calcium isotopes is systematically investigated.It is shown that the single-proton states with higher angular momenta are influenced significantly by the tensor force and the trend in the evolution of somesingle-particle energy differences with the mass number of the isotopes depends sensitively on a parameter βT associated with the intensity of the tensor force.To understand this phenomenon,we analyze the spin-orbit potentials and the radial wave functions of relevant single-proton orbits in detail.In addition,it is found that some TI J interactions could cause the 2s1/21d3/2 energy level inversion in 48Ca.     

Application of wavelet transform in-ray spectra analysis

The frequency distribution of different ingredients in-ray spectra,e.g.,photo-peak,fluctuations of counts and Compton region,is separately analyzed.After wavelet transform of-ray spectra,the wavelet coefficients of a photo-peak increase with transforming scales and these coefficients show direct proportion with intensity of peak at determinate scale.A novel algorithm based on wavelet transform is proposed and studied.The results indicate that most of the photo-peaks in multi-spectra can be determined accurately,the-rays energy and intensity of the peak can also be determined.This method has the prospect of being applied in on-line multi-spectra analysis in such fields as radioprotection and nuclear safety monitoring.     

Magnetic properties and magnetocaloric effects in amorphous and crystalline Gd55Co35Ni10 ribbons

The magnetic properties and magnetocaloric effects of amorphous and crystalline Gd55Co35Ni10 ribbons are investigated.A main phase with a Ho 12 Co 7-type monoclinic structure(space group P21/c) and a minor phase with a Ho4Co3-type hexagonal structure(space group P63/m) are obtained for crystalline ribbon after annealing.The amorphous ribbons order ferromagnetically and undergo a second-order transition at 192 K.For crystalline Gd55Co35Ni10 ribbons,two magnetic phase transitions occur at 158 and 214 K,respectively.The peak value of-△SM under a field change of 0-5 T is 6.5 J/kg K at 192 K for amorphous Gd55Co35Ni10 ribbons.A relatively large magnetic entropy change(～5.0 J/kg K) under a field change of 0-5 T for the crystalline Gd55Co35Ni10 ribbons is obtained in the temperature interval range of 154-214 K.The large platform of magnetic entropy change and the negligible thermal/magnetic hysteresis loss mean the crystalline Gd55Co35Ni10 compound can satisfy the requirement of the Ericsson-type refrigerator working in the temperature range from 154K to 214K.     

Optical bistability based on surface plasmon coupled between two noble metal films involving Kerr materials

We successfully investigate an optical bistability phenomenon in a layered structure consisting of Kretschmann configuration involving the Kerr-type nonlinear and the silver film. Pure theoretical approaches are employed to investigate that the surface plasmon could easily be coupled and both the reflection and transmission curves versus the incident intensity forms optical bistability. The transmission curves are greatly influenced by the thickness of the second silver film. These results may be useful for designing novel surface plasmon-based optical devices and will be essential for future classical and quantum information processes.