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61.
水中痕量钼(Ⅵ)的4-(2-吡啶偶氮)-间苯二酚螯合活性炭吸附富集分光光度法测定 总被引:5,自引:0,他引:5
提出了一种简单快速预富集水中痕量钼(Ⅵ)的新方法,方法的机理在于4-(2-吡啶偶氮)-间苯二酚(PAR)与钼(Ⅵ)螯合后被活性炭中附,然后用NaOH解吸下来,再用水杨基荧光酮与钼(Ⅵ)显色,分光光度法测定钼(Ⅵ)的含量;详细研究了影响Mo-PAR螯合物定量吸附于活性炭上的各种参数,找出了最佳吸附-解吸条件,包括吸附酸度、PAR用量、吸附时间、解吸酸度等;该法的主要优点是操作简单、快速,干扰小,避免了常规方法中用浓硝酸消化活性炭费时和污染大的解吸方法,该法已用于测定水中痕量钼(Ⅵ),加标回收率达到94%-97%。 相似文献
62.
63.
提出了用于计算实际体系熵相关性质的Monte Carlo多级取样分子模拟方法. 应用这一方法, 对硬球流体的化学势及Helmholtz自由能进行了估算, 得到了满意的结果. 计算化学势时, 不存在通常试验粒子方法所遇到的高密度问题. 该方法特别适合规律性的系统研究, 较之普通模拟方法要有效得多. 模拟得到的硬球体系无限稀释组份的超额化学势与对比直径的关系, 在相变区域为一条双凹曲线; 无论是在相变区还是在单相区, Carnahan-Starling公式对这一关系的描述均有较大偏差. 相似文献
64.
65.
针对点阵夹层结构主动热防护问题,建立了夹层结构面板和芯体导热与冷却剂对流耦合的非稳态传热理论模型,利用有限体积法离散控制方程并在MATLAB中进行了迭代求解.模型首次考虑了面板与夹芯杆之间的收缩热阻,并利用分离变量法得到了收缩热阻的近似解析解.基于单胞模型和周期性边界条件,模拟得到了模型所需的表面对流传热系数h_(b)和h_(fin).最后,选取多单胞计算工况进行数值模拟和理论模型对比,并讨论了收缩热阻对模型预测精度的影响.结果表明:理论模型能够准确预测夹层结构及内部流体的温度变化,理论与仿真之间的最大误差不超过1%;随着外加热流密度不断增大,忽略收缩热阻使得计算结果造成的误差不断增大;与数值模拟相比,理论模型可显著地减少计算时间并节省计算资源,尤其适用于非均匀、非稳态复杂热载荷下点阵夹层结构的温度响应计算. 相似文献
66.
K. C. Kiwiel 《Applied Mathematics and Optimization》1995,32(3):235-254
Letf: n (–, ] be a convex polyhedral function. We show that if any standard active set method for quadratic programming (QP) findsx(t)= arg min
x
¦x¦2/2+t
f(x) for somet> 0, then its final working set defines a simple equality QP subproblem, whose Lagrange multiplier can be used both for testing ift is large enough forx(t) to coincide with the normal minimizer off, and for increasingt otherwise. The QP subproblem may easily be solved via the matrix factorizations used for findingx(t). This opens up the way for efficient implementations. We also give finite methods for computing the whole trajectory {x(t)}
t
0, minimizingf over an ellipsoid, and choosing penalty parameters inL
1QP methods for strictly convex QP.This research was supported by the State Committee for Scientific Research under Grant 8S50502206. 相似文献
67.
Polymer enhanced ultrafiltration (PEUF) is a newly developed method for the removal of heavy metals from aqueous solutions. This method was applied for the removal of mercury and cadmium with the presence of polyethyleneimine (PEI) as a water soluble polymer. After ultrafiltration experiments for metal–polymer mixtures, two separate streams, namely, retentate and permeate, former of which contains mainly metal–polymer complex and free polymer molecules while latter of which mainly contains free metal ions, were obtained. At the end of PEUF experiments, performance of operation was determined by concentration analyses which was achieved by atomic absorption spectroscopy (AAS) applied in a different way for permeate and retentate streams considering the effect of presence of polymer. For mercury analysis, cold vapor AAS was applied. It was observed that the presence of PEI did not affect the atomic absorption signal when 10% HCl was added to the sample solutions. For calcium and cadmium, flame AAS was used. It was observed that change in PEI concentration results in change in measured concentration of calcium and cadmium. Therefore, two new approaches were developed for accurate measurement of concentrations of calcium and cadmium. It was also observed that presence of other metals did not affect the accuracy of the measurement of a particular metal in the concentration range studied. 相似文献
68.
Mattia Falconi Ruggero Gallimbeni Emanuele Paci 《Journal of computer-aided molecular design》1996,10(5):490-498
Summary Molecular dynamics (MD) simulations of 100 ps have been carried out to study the active-site behaviour of the Cu,Zn superoxide dismutase dimer (SOD) in water. The active site of each subunit was monitored during the whole simulation by calculating the distances between functional residues and the catalytic copper. The results indicate that charge orientation is maintained at each active site but the solvent accessibility varies. Analysis of the MD simulation, carried out by using the atomic displacement covariance matrix, has shown a different intra-subunit correlation pattern for the two monomers and the presence of inter-subunit correlations. The MD simulation presented here indicates an asymmetry in the two active sites and different dynamic behaviour of the two SOD subunits. 相似文献
69.
Saulius Martusevi
ius Gediminas Niaura Zita Talaikyt Valdemaras Razumas 《Vibrational Spectroscopy》1996,10(2)
The adsorption of
-histidine on a copper electrode from H2O- and D2O-based solutions is studied by means of surface-enhanced Raman scattering (SERS) spectroscopy. Different adsorption states of histidine are observed depending upon pH, potential, and the presence of the SO2−4 and Cl− ions. In acidic solutions of pH 1.2 the imidazole ring of the adsorbed histidine remains protonated and is not involved in the chemical coordination with the surface. The SO2−4 and Cl− ions compete with histidine for the adsorption sites. In solutions of pH 3.1 three different adsorption states of histidine are observed depending on the potential. Histidine adsorbs with the protonated imidazole ring oriented mainly perpendicularly to the surface at potentials more positive than −0.2 V. Transformation of that adsorption state occurs at more negative potentials. As this takes place, histidine adsorbs through the α-NH2 group and the neutral imidazole ring. The Cl− ions cause the protonation and detachment of the α-NH2 group from the surface and the formation of the ion pair NH+3 … Cl− can be observed. In the neutral solution of pH 7.0 histidine adsorbs through the deprotonated nitrogen atom of the imidazole ring and the α-COO− group at E ≥ −0.2 V. However, this adsorption state is transformed into the adsorption state in which the α-NH2 group and/or neutral imidazole ring participate in the anchoring of histidine to the surface, once the potential becomes more negative. In alkaline solutions of pH 11.9 histidine is adsorbed on the copper surface through the neutral imidazole ring. 相似文献
70.
The rhodium-phosphine complex catalyst Rh(CO)(acac)(PPh3)(Ⅰ) for 1-hexene hydroformylation was studied under the following reaction conditions: CO/H2=1(mole rate), pressure 1.0 MPa, temperature 25-120℃, by using the pressurized in-situ 1H NMR technique. Experimental results indicated that the formation of a rhodium hydride complex from (Ⅰ) began at room temperature and its amount increased with increasing of reaction temperature. This intermediate complex began to decompose at 100℃ and disapeared completely at 120℃. The intensity change of the proton signal was parallel to catalytical activity in hydroformylation of olefins. Under pure CO pressure the proton signal of Ph-H bond was not observed. There was a 0.2 ppm difference in proton chemical shifts of Rh-H bond under pure H2 pressure and under H2+CO pressure. The results showed that the rhodium-hydride carbonyl complex is the active intermediate in the industrial hydroformylation process. 相似文献