Thermodynamics of substituted coumarin VII: Potentiometric and spectrophotometric studies of 1-acetyl-2-(coumarin-iminecarboxamide-3-yl) hydrazine transition metal complexes

The dissociation constant of l-acetyl-2-(coumariniminecarboxamide-3-yl) hydrazine (ACCH) has been determined potentiometrically in 0.1 M KC1 and 40% (v/v) ethanol-water mixture. The stepwise stability constants of the formed complexes of Mn²⁺, Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺ and UO₂ ²⁺ with ACCH have been determined. The stability constants were found to UO₂ ²⁺ > Cu²⁺> Zn²⁺ > Ni²⁺ < CO²⁺ < Mn²⁺. The effect of temperature on the dissociation of ACCH and the stability of its formed complexes were studied. The corresponding thermodynamic functions were also determined and discussed. The spectral data of ACCH were investigated in pure organic solvents as well as in Britton Robinson buffer solutions of varying pH values. The dissociation constant pK^H ₁ of ACCH and the overall stability constants logβ of their complexes were determined in 20% (v/v) ethanol-water mixture at 298K.     

用扩散蒙特卡罗方法研究BH2, B(OH)2, BCl2和BCl的键离解能

采用扩散蒙特卡罗(DMC)方法计算了BH₂, B(OH)₂, BCl₂和BCl的HB-H和HOB-OH的键离解能, 同时也研究了轨道选择和Backflow变换对DMC计算结果的影响． 在Slater-Jastrow DMC(SJ-DMC)计算方法中,当采用B3PW91轨道时得到的HB-H和HOB-OH键离解能分别是359.1±0.12和98.2±0.12 kJ/mol;用B3LYP SJ-DMC计算键离解能得到了与用B3PW91 SJ-DMC方法类似的结果．通过BF-DMC(即在DMC中引入backflow修正)计算得到的HB?H键离解能为369.6±0.12 kJ/mol,也得到了更加接近实验值的HOB-OH键离解能为446.0±1.84 kJ/mol．由DMC的计算结果可以断定HB?H的键离解能的实验值为375.8 kJ/mol．另外还给出了BCl2和BCl的键离解能的计算结果.     

变比热气体和变比热有离解气体热力学过程的计算

变比热气体和变比热有离解气体热力学过程的计算张世铮，纪军（中国科学院工程热物理研究所北京１０００８０）关键词离解气体；变成分气体；热力学过程１前言在热机和热设备的循环分析、设计计算和实验研究中要求按照工质的真实热力学性质作准确的气动热力学计算。在喷气...     

复相系平衡条件及平衡稳定性条件的分析

复相系平衡条件及平衡稳定性条件的分析曾丹苓（重庆大学热力工程系重庆６３００４４）关键词复相系，平衡条件，平衡稳定性条件１引言汽液相变是工程上常见的现象，它是一个复杂的物理过程，涉及到传热传质、相转变、表面现象、流体流动及工质热物性等领域，但从热力学的...     

TOPO－TBP萃淋树脂在盐酸、硝酸溶液中萃取铀、钍平衡常数的测定

本文测定了在盐酸、硝酸溶液中，ＴＯＰＯ－ＴＢＰ萃淋树脂萃取铀、钍的平衡常数，结果表明，在相同酸性溶液中，ＴＯＰＯ－ＴＢＰ萃淋树脂萃取铀、钍平衡常数与液－液体系基本一致。     

超对称系统的边界条件与可积性

通过研究反射方程的解,构造了一类具有不同边界条件的超对称系统,同时证明了在一维情况下,这类系统是完全可积的.     

液体表面张力系数测定实验的几点分析

用拉脱法测定水的表面张力系数实验中，用焦利氏秤测定（Ｆ—Ｗ）时，确定焦利氏秤标尺读数Ｌ１、Ｌ２的位置有两种方法。本文旨在详细分析这两种方法隐含的实验条件和对实验结果的影响．并进行比较，得出结论。     

Adatom concentration on GaAs(001) during MBE annealing

We study the concentration of adatoms on GaAs(001) during annealing under MBE conditions. By rapidly cooling the sample from typical growth temperatures and typical As overpressures, the thermal concentration of adatoms can be frozen into small islands on the terraces. The area of the resulting islands is measured with STM far from terrace steps, giving an estimate of the concentration of adatoms during equilibrium. We find that a surprisingly large concentration of adatoms is present for typical growth temperatures, e.g. 0.18 monolayer at 600°C. Possible consequences for current growth models are discussed.     

氢分子在Mg2Ni(010)面的吸附与分解

本文采用基于密度泛函理论(DFT)的第一原理赝势平面波(PW-PP)方法,对氢分子在Mg2Ni(010)面的吸附与分解进行了研究,我们发现氢分子以Hor1的方式吸附在表面层Ni原子的顶位时吸附能最高,为0.6769eV,这表明氢分子最可能以Hor1的方式吸附在表面层Ni原子的顶位,此时氢分子跟表面的距离( )和氢分子的键长( )分别为1.6286Å和0.9174Å. 在分子吸附的基础上计算了氢分子沿着选取的反应路径分解时的反应势垒,发现要使氢分子分解需要0.2778eV的活化能,而氢分子分解时的吸附能为0.8390eV,分解后两个氢原子的距离为3.1712Å. 在分子吸附和分解吸附时氢原子跟正下方的Ni原子都有较强的相互作用,氢原子所得到的电子主要来自氢分子正下方的Ni原子.     

Influence of ignition condition on the growth of silicon thin films using plasma enhanced chemical vapour deposition

The influences of the plasma ignition condition in plasma enhanced chemical vapour deposition (PECVD) on the interfaces and the microstructures of hydrogenated microcrystalline Si (μc-Si:H) thin films are investigated. The plasma ignition condition is modified by varying the ratio of SiH₄ to H₂ (R_H). For plasma ignited with a constant gas ratio, the time-resolved optical emission spectroscopy presents a low value of the emission intensity ratio of Hα to SiH^* (I_Hα/I_SiH^*) at the initial stage, which leads to a thick amorphous incubation layer. For the ignition condition with a profiling R_H, the higher I_Hα/I_SiH^* values are realized. By optimizing the R_H modulation, a uniform crystallinity along the growth direction and a denser μ c-Si:H film can be obtained. However, an excessively high I_Hα/I_SiH^* may damage the interface properties, which is indicated by capacitance-voltage (C-V) measurements. Well controlling the ignition condition is critically important for the applications of Si thin films.