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茉莉花是我国的健康饮品,由于茉莉花具有药食两用功效,本实验对茉莉花中7种金属元素含量进行了研究,结果表明,茉莉花中含有丰富的人体所必需的金属矿质元素,K、Ca、Mg的含量较多,具有较高的开发利用价值,但不同金属元素含量存在差异。同时对茉莉花进行了全量浸提,不同元素的浸提率存在一定的差异,其中K的浸出率最高。研究结果对人们日常正确选择饮用花茶提供了一定的理论依据,具有一定的实际意义和推广价值。  相似文献   
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In this work, a group of benzimidazoles, namely benzimidazole (BIM), 2‐hexyl benzimidazole (2‐HBIM), and 2‐benzyl chloride benzimidazole (2‐ClBBIM), have been studied using density functional theory (DFT) at the level of B3LYP with the 6‐31G (d) and 6‐311G (d, p) base sets in order to elucidate the different inhibition efficiencies and reactive sites of these compounds as corrosion inhibitors. Based on the calculated results, the studied molecules interact with Fe‐atoms mainly in their stable pyridine‐N protonated forms. It is found that the inhibition efficiencies of the stable protonated molecules involved in this study have a certain relation with some parameters, such as the highest occupied molecular orbital energy (EHOMO) and the global hardness (η). The results indicate that the C (7) atoms, as the reactive sites, receive electrons from Fe‐atoms, benzene ring denote electrons to vacant orbital of Fe‐atoms. Additionally, Fukui indices and the orbital analyses suggest that 2‐ClBBIM has the highest reaction activity among the three molecules, the efficiency order of three inhibitors is found to be 2‐ClBBIM > 2‐HBIM > BIM, which accords with experimental results. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010  相似文献   
4.
By using the generalized Riccati transformation and the inequality technique, we establish some new oscillation criteria for the second-order nonlinear delay dynamic equations with damping on a time scale. Our results extend and improve some known theorems, but also unify the oscillation of the second-order nonlinear delay differential equation with damping and the second-order nonlinear delay difference equation with damping.  相似文献   
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针对约束块可分的最优化问题,引入序列线性方程组方法和有效集策略,提出了一个求解约束块可分优化问题的QP-free型并行变量分配(PVD)算法.算法中用三个系数具有对称结构的线性方程组来代替PVD算法中的二次规划问题以求解线搜索方向,避免了约束不相容,减小了计算量.并且算法不要求约束是凸的.最后证明了QP-free型PVD算法的全局收敛性.  相似文献   
6.
Using quantum mechanics GASTEP software package based on the first principle density function theory, the electronic structure and optical properties of Ga1−xAlxAs at different Al constituent are calculated. Result shows that with the increase of Al constituent, the band gap of Ga1−xAlxAs increases and varies from direct band gap to indirect band gap; the absorption band edge and the absorption peak move to high-energy side; the static reflectivity decreases. With the increasing of the incident photon energy, Ga1−xAlxAs shows metal reflective properties in certain energy range. With the increasing of Al constituent, static dielectric constant decreases and the intersection of dielectric function and the x-axis move towards high-energy side; the peak of energy loss function move to low-energy side and the peak value reduces.  相似文献   
7.
In this paper, we investigate some nonlinear integral inequalities on time scales, which provide explicit bounds on unknown functions. Our results, which can be used as handy tools to study the properties of certain dynamic equations on time scales, unify and extend some integral inequalities and their corresponding discrete analogues.  相似文献   
8.
In this paper, the systems of carbon nanotubes (CNTs) conveying fluid are considered by the combination of Lie symmetry analysis and the dynamical system method. All of the geometric vector fields of the three systems are obtained, then the symmetry reductions and exact solutions to the systems are investigated by the dynamical system and the power series method. Especially, the convergence of the power series solution to the nonlinear system is shown under the condition which is easily satisfied generally.  相似文献   
9.
In this paper, the generalized symmetries of the second-order Burgers’ equation are obtained through the symmetry transformation method. The Bäcklund transformations (BTs) of the two equations are constructed by the recursion operator method. Then, the infinite number of exact solutions to these equations are investigated in terms of the generalized symmetries and Bäcklund transformations. Furthermore, the Bäcklund transformations and conservation law of the general Burgers’ equations are discussed.  相似文献   
10.
We investigated the efficiency of pervaporation separation of methanol/methyl-t-butyl ether (MTBE) mixture through chitosan composite membrane modified with sulfuric acid and four surfactants. Effects of feed concentration, temperature, crosslinking degree and type of surfactants were studied. The chitosan composite membrane modified with sulfuric acid showed the pervaporation performance of over 70 wt% methanol in the permeate and flux of 100 g/m2 h measured at 25°C. At 50°C, the separation factor decreased while the flux increased exceeding 300 g/m2 h. For the membrane complexed with surfactants, the permeate showed 98.3 wt% methanol concentration and 470 g/m2 h of permeate flux at 25°C. With increasing operating temperature, the permeate flux remarkably increased to 1170 g/m2 h and the permeate showed 97.8 wt% methanol concentrations.  相似文献   
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