弱酸HA与弱碱B-混合溶液缓冲能力分析*

计算了几个常见一元弱酸HA和一元弱碱B-混合溶液的pH,并对其缓冲能力进行了分析。结果表明,HA-B-溶液在一定的浓度条件下,具有一定的缓冲能力。当酸电离常数之比KHA/KHB接近1时,HA-B-溶液中主要存在HA-A-和HB-B- 2个缓冲对。随着KHA/KHB逐渐增大,B-的浓度越来越小,当KHA/KHB大于1 000时,HA-B-溶液主要存在的是HA-A-缓冲对。     

Variable Separation and Exact Separable Solutions for Equations of Type uxt=A(u,ux)uxx+B(u,ux)

The generalized conditional symmetry is developed to study the variable separation for equations of type u_xt=A(u,u_x)u_xx+B(u,u_x). Complete classification of those equations which admit derivative-dependent functional separable solutions is obtained and some of their exact separable solutions are constructed.     

溶剂密度对β胡萝卜素拉曼散射截面的影响

测量了含有9个CC共轭双键的链状多烯类生物分子β胡萝卜素在9种溶剂中的紫外—可见吸收和拉曼光谱.结果表明,β胡萝卜素C—C,CC键拉曼散射截面随溶剂体密度增加而线性增加,其机理是β胡萝卜素分子在体密度大的溶剂中受浮动干扰小,分子结构有序性高,π电子离域扩展,产生强的相干弱阻尼CC键振动,而产生大的拉曼散射截面.密度对分子拉曼散射截面影响研究还没见过报道,本文为多烯类链状分子的光散射理论研究提供了实验线索,也对多烯类链状分子性能研究及光电器件研制有参考价值. 关键词： 拉曼散射截面 多烯分子 吸收光谱 分子结构有序     

Transformation of metastable forms of acetaminophen studied by thermal Fourier transform infrared (FT-IR) microspectroscopy

A novel Fourier transform infrared (FT-IR) microspectroscopy equipped with a micro hot stage (thermal FT-IR microscopic system) was used to quickly study the phase transformation of acetaminophen polymorphs by a one-step process. Acetaminophen was sealed in KBr disc on the first and second heating processes under this system. The results indicate that the contour IR profile of form I acetaminophen in the first heating process changed dramatically only near 165 degrees C, but in the re-heating process exhibited a considerable alteration in peak intensity, band width and position near the temperatures at 85, 118 and 153 degrees C. A glassy form of acetaminophen was obtained after rapidly cooling the melted acetaminophen from 200 to 25 degrees C. The glassy acetaminophen was recrystallized at 85 degrees C to transform to the form III of acetaminophen in the reheating process, and then transformed to its form II near 118 degrees C. The thermal FT-IR microscopic system is a simple, quick and timesaving tool for investigation of the thermo-dependent molecular structure of acetaminophen polymorphs in the processes of recrystallization and polymorphic transition.     

Extended Group Foliation Method and Functional Separation of Variables to Nonlinear Wave Equations

Generalized functional separation of variables to nonlinear evolution equations is studied in terms of the extended group foliation method, which is based on the Lie point symmetry method. The approach is applied to nonlinear wave equations with variable speed and external force. A complete classification for the wave equation which admits functional separable solutions is presented. Some known results can be recovered by this approach.     

Mott physics and topological phase transition in correlated dirac fermions

We investigate the interplay between the strong correlation and the spin-orbit coupling in the Kane-Mele-Hubbard model and obtain the qualitative phase diagram via the variational cluster approach. We identify, through an increase of the Hubbard U, the transition from the topological band insulator to either the spin liquid phase or the easy-plane antiferromagnetic insulating phase, depending on the strength of the spin-orbit coupling. A nontrivial evolution of the bulk bands in the topological quantum phase transition is also demonstrated.     

Variable Separation and Derivative-Dependent Functional Separable Solutions to Generalized KdV Equations

Using the generalized conditional symmetry approach, a complete list of canonicalforms for the Kortewegde-Vries type equations with which possessing derivative-dependent functional separable solutions (DDFSSs) is obtained.The exact DDFSSs of the resulting equations are explicitly exhibited.     

An unprecedented 3D 8-connected pure inorganic framework based on nanosized {[Na12PO16H24]⊂[P4Mo6O31H6]4}15- clusters and zinc cations

The first 3D uninodal eight-connected {P(4)Mo(6)O(31)H(6)}-based pure inorganic framework linked by transition metal ions has been synthesized and its electrochemical behavior and diffuse reflectance UV-Vis spectrum were investigated.     

Cu/TiOx复合薄膜的电子态分析及其对亲水性的影响

在室温下,采用射频磁控溅射法制备了Cu/TiO_x纳米晶复合薄膜.利用X射线粉末衍射（XRD）、X射线光电子能谱（XPS）对其结构进行表征,并研究了Cu/TiO_x复合薄膜的UV-vis吸收谱和亲水性.结果表明,退火前后薄膜中钛元素皆以Ti³⁺形式存在.薄膜在可见区有吸收,吸收限为600 nm左右.Cu/TiO_x复合薄膜具有良好的亲水性.这主要是由于Cu的掺杂,使得薄膜的性能的亲水性变好. 关键词： x复合薄膜')" href="#">Cu/TiO_x复合薄膜 射频磁控溅射 XPS 亲水性     

Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture (dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation

In this study,our vibrational spectroscopic analysis is made on hydrogen-bonding between dimethyl sulfoxide and water comprises both experimental Raman spectra and ab initio calculations on structures of various dimethyl sulfoxide/water clusters with increasing water content.The Raman peak position of the v(S=O) stretching mode of dimethyl sulfoxide serves as a probe for monitoring the degree of hydrogen-bonding between dimethyl sulfoxide and water.In addition,the two vibrational modes,namely,the CH 3 symmetric stretching mode and the CH 3 asymmetric stretching mode have been analysed under different concentrations.We relate the computational results to the experimental vibrational wavenumber trends that are observed in our concentration-dependent Raman study.The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the nature of the hydrogen bonding and the structures of the hydrogen-bonded complexes studied.