超临界NaCl水溶液的分子动力学模拟

采用分子动力学模拟的方法对超临界NaCl水溶液的微观结构进行了研究.模拟发现在所研究超临界条件下,密度的变化比温度的变化对超临界NaCl水溶液的微观结构影响更大.温度及密度对Cl－ H2O径向分布函数的影响比对Na＋ H2O径向分布函数的影响要大.超临界条件下,各gNa＋－Cl－在0.261 nm处出现峰值,表明Na＋、Cl－之间发生了离子的缔合.超临界条件下,随温度增加,缔合作用增强；随密度增加,缔合作用减弱.本文工作为建立可适用于超临界条件下的电解质热力学模型提供了依据.     

Rapid—In—situ Determination of Chromium （VI） in Water Using Modified Diphenylcarbazine with Citrate

In recent years, the determination of Cr (VI) has attracted great attention because of its toxicity to human, plants and animals1-5. Usually, in the industrial waste water, the concentration of Cr (VI) is relatively high and should be determined frequently. So, an accurate, quick, and convenient method for the measurement of Cr (VI) in environmental water, as well as in river, lake, sea and tap water, is of great importance. The method for determination of Cr (VI) by diphenylcarbazine …     

Synthesis of New Chiral C2-Symmetrical Bis(oxazoline )Compounds

New chiral C2-symmetrical bis(oxazoline)compounds bearing one isobutyl-,secbutyl-benzyl- or isopropyl-substituent at the 4-position have been prepared and characterized.     

PC／PBT共混体系的研究：Ⅰ.PC,PBT熔融共混时的酯交换反应

采用红外光谱、核磁共振等测试手段，系统地研究了ＰＣ、ＰＢＴ熔融共混时的酯交换反应，发现ＰＢＴ中残余的Ｔｉ催化剂会对酯交换反应起催化作用。通过加入能和Ｔｉ催化剂络合添加剂，可以控制酯交换程度，这为控制ＰＣ／ＰＢＴ合金的性能提供了一个非常有效的方法。     

Two Novel Sub-skeleton Types of ent-Kauranoids from Isodon gesneroides

Two novel ent-kauranoids with new sub-skeleton types, gesneroidins G and H were isolated as white powder from the ether extract of the leaves of Isodon gesneroides through normal phase column chromatography. Their structures were elucidated as 3β,6α,7β-triacetoxyl-15-hydroxyl-14-oxo-ent- 15,16-seco-kaur-11,17-olide and Iα-hydroxyl-3β,6α,7β,11 β-tetraacetoxyl-ent-nor-15,17-kaur-8,16-olide on the basis of the spectral evidences including ID and 2D NMR spectra.     

Surface-enhanced Raman scattering studies on the adsorption of p-nitrobenzoic acid at Au electrode under different potential with ultraviolet excitation

The potential-dependent surface-enhanced Raman spectrum of adsorbed p-nitrobenzoic acid (PNBA) on the roughened Au electrode has been obtained by using ultraviolet (UV) excitation at 325 nm. The surface-enhanced Raman spectra of PNBA intensely changed when the voltage was in the rang of negative value, and the electrode potential at which the resonance (potential of maximum intensity) occurs varied when the vibrational mode changes, indicating that the PNBA molecules were chemisorbed on the roughened Au surface. The charge transfer (CT) mechanism could probably explain the experiment results in the present work.     

On the Sixth Power Mean of the Two-term Exponential Sums

Acta Mathematica Sinica, English Series - The main purpose of this article is to study the calculating problem of the sixth power mean of the two-term exponential sums, and give an interesting...     

Explicit Traveling Wave Solutions and Their Dynamical Behaviors for the Coupled Higgs Field Equation

In this paper, we focus on the traveling wave solutions of the coupled Higgs field equation from the perspective of dynamical systems. Through the phase portraits, in addition to periodic wave solutions and solitary wave solutions, we also obtain explicit periodic singular wave solutions, singular wave solutions and kink wave solutions, which were not found in the previous works. The dynamical behavior of these solutions and their internal relations are revealed through asymptotic analysis. The results will help supplement the study of field equation.