Yb(Cl4)3·3H2O-18C6-C2H5OH体系(25℃)的相化学研究及固态配合物的合成与性质

The solubilities of Yb(ClO₄)₃·3H₂O-18C6-C₂H₅OH ternary system at 25 were invstigated by a semimicro method for study of phase equilibrium.and the refractive indexes of saturated solutions were determined.The behavior of water in this system during the equilibrium was examined.The results indicate that there are two kinds of complexes formed in the system, their chemical compositions are: Yb(ClO₄)₃·18C6·3H₂O·2C₂H₅OH (I) and Yb(ClO₄)₃ 18C6·3H₂O·C₂H₅OH.Both are incongruently soluble in EtOH.The influences of rare earth ions and salt anions on formation of complexes were discussed.The two solid complexes have been prepared, and their composihons and properties have been investigated by chemical analysis, IR, DTG and DSC.According to the DSC, the enthalpies of some steps during the decomposition have been obtained for complexes (Ⅲ)and (Ⅳ).     

La2O3对沼气重整制氢催化剂Ni/γ-Al2O3的影响

用浸渍法制备了不同La2O3含量的Ni/La2O3/γ-Al2O3催化剂,用CH4/CO2体积比为1的混合气体模拟沼气,考察了La2O3对沼气重整制氢催化剂Ni/γ-Al2O3的结构及催化性能的影响.运用XRD、H2-TPR、BET及TEM等手段对催化剂进行了表征.结果表明,La2O3对催化剂Ni/γ-Al2O3的影响主要取决于其含量.载体中La2O3的添加增强了Ni与Al2O3之间的相互作用.添加适量的La2O3能使催化剂具有更好的可还原性,并能增加金属Ni的分散性,抑制反应过程中Ni的烧结,提高载体对CO2的吸附能力,从而改善了催化剂的抗积炭性,使催化剂具有较好的活性及稳定性.反之,过量La2O3的掺杂会使催化剂的抗积炭性及活性下降.当La2O3含量为6%(ω)时,催化剂中Ni晶粒具有较好的分散性、还原性及抗积炭性,从而使催化剂具有更好的活性及稳定性.     

Synthesis of Poly（aryl ether ketone） Copolymers Containing Adamantyl-substituted Naphthalene Rings

1 Introduction High performance polymers have received con-siderable attention over the past decade owing to their increased demands as replacements for metals or     

含乙酰氧肟酸配体的席夫碱钒配合物的合成、结构及其抑制幽门螺旋杆菌脲酶研究

本文合成了2个新的含乙酰氧肟酸配体的席夫碱钒配合物,[V^ⅢL¹(HAHA)](1)和[V^ⅤOL²(AHA)](2),其中L¹为N,N’-二(5-甲基水杨基)乙烷-1,2-二胺的二价阴离子,L²为2-{[2-(2-羟乙基氨基)乙亚胺基]甲基}-6-甲基苯酚的一价阴离子,HAHA和AHA分别为乙酰氧肟酸的一价和二价阴离子,通过物理-化学方法以及单晶X-射线衍射表征了它们的结构。在每个化合物中,V原子都采取八面体配位构型。本文还研究了配合物的热稳定性以及其对幽门螺旋杆菌脲酶的抑制活性。在浓度为100μmol·L^-1时,配合物1和2对脲酶的抑制率分别为37.2%和81.5%,其中配合物2的IC₅₀值为21.5μmol·L^-1。分子对接研究表明配合物2与脲酶活性中心存在有效的作用力。     

Synthesis and Crystal Structure of a New Coordination Polymer: {[AgL]ClO_4}_n(L = 2,5-Bis(3-pyridinylmethylthio)-l,3,4-thiadiazole)

The title complex {[AgL]ClO4}n(L=2,5-bis(3-pyridinylmethylthio)-1,3,4-thiadiazole) was synthesized by the reaction of Ag(I) salt and a novel flexible ligand L.Its structure was determined by X-ray crystallography with the following data:monoclinic,space group P21/n,a=16.5068(13),b=7.6548(4),c=16.5521(13),β=115.119(3)o,V=1893.7(2)3,Z=4,Dc=1.893 g/cm3,μ=1.565 mm-1,F(000)=1072,C14H12AgClN4O4S3,Mr=539.78,T=293(2) K,S=1.067,the final R=0.0342 and wR=0.0870.The silver ion in the complex is in a trigonal coordin...     

Schiff碱双核Mn配合物的合成、结构和性能研究

Five manganese complexes of Schiff base were synthesized： [Mn^Ⅳ，Ⅳ(μ-O)(Salen)]₂·DMF·H₂O (1)， [Mn^Ⅳ，Ⅳ(μ-O)(5-BrSalen)]₂·DMF·0.5H₂O (2)， {Mn^Ⅳ，Ⅳ(μ-O)[Sal(1，2-pn)]}₂·H₂O (3)， {Mn^Ⅳ，Ⅳ(μ-O)[5-Br-Sal(1，2-pn)]}₂·H₂O (4)， {Mn^Ⅳ，Ⅳ(μ-O)[5-CH₃-Sal(1，2-pn)]}₂·2H₂O (5)， and were characterized by element analysis， IR and UV-Vis spectra. The results of cyclic voltammogram show that Schiff base ligands can drop the potential of manganese and steady high oxide state of manganese. The magnetic properties of 1 and 3 have also been studied. The results show that there is a weak ferromagnetically coupling of Mn^Ⅳ₂ pair at room and low temperature， and the interactions of complex 3 are weaker than complex 1.     

三维溃坝流的光滑粒子动力学方法模拟

采用光滑粒子动力学SPH(Smoothed Particle Hydrodynamics)方法对三维溃坝流问题进行了数值模拟。为了逼真地模拟出坝内水体与壁面间相互作用而产生的水花飞溅、融合以及近壁面流动等现象,加入了混合长度形式的湍流模型。为了有效地防止粒子穿透固壁,提出了一种新型的适合三维数值模拟的固壁边界处理方法。应用SPH方法对三维溃坝流进行了数值模拟,并分别考虑了未添加障碍物和添加圆柱障碍物两种情形。计算结果表明,改进SPH方法能够精细地捕捉溃坝流在不同时刻的自由液面,并获得稳定而精确的数值结果。     

考虑均衡性的不确定时间车辆调度问题研究

本文针对车辆调度实际运行过程中时间的不确定性问题,提出了包含时间窗口、车辆容量约束的配送服务线路随机规划模型,以最小化调用的车辆数目和运行距离,降低顾客的不满意度并且尽可能保证每条路线的均衡性。结合模型,给出了基于禁忌搜索的混合启发式算法,并且生成多个算例,依据算例结果说明模型和算法优越性,同时说明可以在不降低顾客满意度和不提高总运输成本的基础上,降低各条线路之间的时间差异。     

四阶色散对飞秒高斯脉冲传输的影响

推导了考虑二、三、四阶色散的高斯脉冲传输方程;利用计算机数值模拟的方法,研究了四阶色散(FOD)对飞秒高斯脉冲在单模光纤中传输特性的影响.模拟结果显示：只有在入射脉冲宽度窄到飞秒量级时,即对应传输速率很高的情况下,FOD对脉冲的影响才明显;FOD导致脉冲形状发生了畸变,畸变特点不同于二、三阶色散;随着初始脉宽逐渐减小,FOD所致的飞秒高斯脉冲畸变经历了一个脉冲仅仅展宽,到展宽脉冲的两翼出现“底座”,到展宽脉冲的两翼出现具有微小振荡“底座”的变化过程.     

生产井开发指标的分层分方向定量计算方法

针对注水开发的多层砂岩油藏分层动态分析难度大等问题,在常规井层开发指标计算基础上,结合动、静态劈分方法,综合考虑渗透率、孔隙度、地层系数、含水饱和度、位置系数、措施系数及注水量系数,提出了一种既可将油、水井作为统一整体,又可对小层、方向流动分量开发指标进行定量计算的体现渗流力学本质的方法。用大庆油田N2-O1井组的产液剖面资料进行验证。结果表明,所提方法的计算结果与测量结果吻合度较高,精度平均值达75.11%。用该方法计算开发指标,适用性强,能较真实地反映各小层、各方向的产液情况,对现场应用具有指导意义。