发展二氧化碳的绿色高新精细化工产业链建设低碳生态产业园

本文开发了从烯烃生产环氧烷烃,二氧化碳合成碳酸二甲酯联产二元醇,以绿色化学原料碳酸二甲酯代替剧毒的光气,开发了碳酸甲乙(丙、丁、戊、己、辛酯)、二乙(丙、丁、戊、己、辛)酯、二苯酯、呋喃唑酮、碳酰肼、苯胺基甲酸甲酯、苄胺基甲酸甲酯、对苯二胺二甲酸甲酯、间羟苯胺基甲酸甲酯、间甲苯胺基甲酸甲酯、二胺基甲酸甲酯二苯甲烷、己二胺二甲酸甲酯、烷基胺甲酸甲酯、肼基甲酸甲酯、嘧黄隆、甲黄隆、氯黄隆、异氰酸酯、聚氨酯、聚碳酸酯等一系列绿色清洁生产新工艺,间接实现了二氧化碳替代剧毒的光气,形成了具有中国特色的二氧化碳的绿色高新精细化工产业链,可建设成为低碳生态产业园。     

Growth of gem-grade nitrogen-doped diamond crystals heavily doped with the addition of Ba（N3）2

Additive Ba(N 3) 2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure (about 6.0 GPa) by employing the temperature gradient method.Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus.The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated.It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets.The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra.The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form,and the aggregated nitrogen concentration in diamond increases with temperature and duration.In addition,it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature.Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy.Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress,whereas diamond crystals heavily doped with the addition of Ba(N 3) 2 display the tensile stress.     

The structure and the potential energy function of AlSO(C_S,X~2A″)

By using the B3P86/aug-cc-pvtz method,the accurate equilibrium geometry of the AlSO(CS,X2A″) molecule has been calculated and compared with available theoretical values.The obtained results show that the AlSO molecule has a most stable structure with bond lengths of R OAl = 0.1864 nm,R OS = 0.1623 nm,R AlS = 0.2450 nm,together with a dissociation energy of 13.88 eV.The possible electronic states and their reasonable dissociation limits for the ground state of the AlSO molecule were determined based on the principle of atomic and molecular reaction statics.The analytic potential energy function of the AlSO molecule was derived by the many-body expansion theory and the contour lines were constructed for the first time,which show the internal information of the AlSO molecule,including the equilibrium structure and stable point.The analysis demonstrates that the obtained potential energy function of AlSO is reasonable and successful and the present investigations provide important insights for further study on molecular reaction dynamics.     

Be-composition effect on structure, electronic and optical properties of BexZn1-xO alloys

This paper carries out first principles calculation of the structure,electronic and optical properties of Be x Zn 1 x O alloys based on the density-functional theory for the compositions x = 0.0,0.25,0.5,0.75,1.0.The lattice constants deviations of alloys obey Vegard’s law well.The Be x Zn 1 x O alloys have the direct band gap(Γ-Γ) character,and the bowing coefficients are less than the available theoretical values.Moreover,it investigates in detail the optical properties(dielectric functions,absorption spectrum and refractive index) of these ternary mixed crystals.The obtained results agree well with the available theoretical and experimental values.     

不同能量下He原子与HCl分子碰撞激发分波截面的同位素效应研究

基于Huxley势函数的拟合势,通过精确度较高的密耦近似方法计算了入射能量为50meV和150meV时,氦原子的四种同位素3He,4He,9He,10He与HCl分子碰撞体系的激发分波截面.通过分析不同能量下,各碰撞体系分波截面的差异,探讨了不同入射能量时He的同位素对He-HCl碰撞体系的分波截面的影响,总结出其分波截面随量子数和体系约化质量的变化规律.     

He-H2(D2,T2)碰撞体系振转相互作用势及分波截面的理论计算

采用超分子单双迭代(包括非迭代三重激发)耦合簇理论CCSD(T)方法,选择由原子中心高斯函数和高斯键函数3s3p2d1f组成的大基组,计算了He-H₂(D₂,T₂)碰撞体系的H₂分子取不同键长时的相互作用势能面.运用Tang-Toennies势模型和非线性最小二乘法拟合构造了He与同位素分子H₂(D₂,T₂)在质心坐标系下的振转相互作用势.通过密耦计算得 关键词： 高斯键函数 Tang-Toennies势函数 分波截面 碰撞参数     

从源于教材的一则思考与讨论谈起

<正>在高中数学人教B版必修4课节1.2.2单位圆与三角函数线一节中,课本思考与讨论中出现结论sinx相似文献   

课本中一习题的应用

习题设a1,a2,…,an为实数,b1,b2,…,bn为正数,     

进气畸变对压气机稳定性的影响

在低速大尺寸单级压气机实验器上,实验研究了动态进气畸变对压气机稳定边界的影响。并采取在静子叶片表面埋入微型压力传感器的方法,分析了压气机流场的动态压力特性。实验结果表明,动态总压畸变的旋转频率和旋转方向对压气机稳定性有很大的影响,当畸变相对转速n在0~+0．5之间时,压气机失速推迟;分析动态压力的频谱特性后知道,在压气机失速前一般存在与失速相关的压力扰动,动态总压畸变影响这种压力扰动,从而影响压气机的不稳定流动状态。     

上概率下的中心极限定理（英文）

本文讨论(?,F)上的上概率ω(·)和下概率ω_c(·)以及它们的某些性质,并由上概率下随机变量序列的独立性、正则性,给出上概率下的中心极限定理,它是经典概率论中中心极限定理在非可加概率下的的推广.