CsNO3-C2H5OH-H2O三元体系在不同温度时的平衡溶解度及相关性

硝酸铯;相平衡;CsNO3-C2H5OH-H2O三元体系在不同温度时的平衡溶解度及相关性     

Effects of correlated perturbations on dark soliton propagation and interaction

Correlated perturbations are considered in a dark soliton system, and their effects on soliton propagation and interaction are investigated numerically. These perturbations result in large sidebands, lead to submergence of dark soliton, and enhance the interaction. The correlation amplifies these effects and shortens the distance until submergence. The comparison of the distinction is made between the degradations of these effects on dark soliton and the corresponding bright soliton. It is found that these effects on dark soliton are less than those on bright soliton. Finally the nonlinear gain is introduced to suppress efficiently these effects.     

环烷烃及烷烃的折光指数与结构的关系研究

A new structure information autocorrelation topological index tX is designed and developed based on the vertex degree of molecular topology and autocorrelation function of mathematics. Quantitative structure property the relationships for estimating the refractive index of cycloalkane and alkane are set up based on multiple linear regression. The vertex degree is defined as βi .The structure information autocorrelation topological index tX is set up with the βi. The refractive index （nD）, for the 64 cycloalkanes, are correlated with this topological indices. The index, for the 27 alkanes, are also correlated with this topological indices. The calculated results showed that the calculated refractive index of cycloalkanes and alkanes are in good agreement with the experimental data, with the mean velative deviation 0.25%. With the established model, the refractive index of the other 5 alkanes are predicted.     

Investigation on gradient-dependent nonlocal constitutive models for elasto-plasticity coupled with damage

IntroductionIntheframeworkofconventionalplasticity ,materialinstabilityisoneoftheprincipalfactorsthatresultinginthestrainlocalizationphenomenon .Byusingtheterminology‘homogenized’ ,itisreferredtothefactthatinitialflawsandboundaryconditionsnecessarilyinduceanon_homogeneousstressstateinaspecimenduringtesting .Inparticularintheprocessofprogressivefailure ,theflawsandlocalstressconcentrationwillcausestronglyinhomogeneousdeformationofthespecimen[1,2 ].Asthedeformation_inducedfracture/damagephenom…     

Quantum Statistical Properties in Two—Species Bose—Einstein Condensates

We have studied quantum statistical properties in a zero-temperature two-species Bose-Einstein condensate system in the presence of the nonlinear self-interaction of each species,the interspecies nonlinear interaction,and the Jisephson-like tunneling interaction.It is found that the two condensates may periodically exhibit sub-Poissonian distribution.It is revealed that the correlation between the two condensates can be nonclassical,which means that there exists a violation of Cauchy-Schwartz inequality.The nonclassical effect about the correlation between the two condensates can be realized experimentally by properly preparing the total number of atoms in the two condensates.     

应用量化参数和CoMFA法研究苯甲酸类化合物的结构和其pKa值的相关性

人工神经网;应用量化参数和CoMFA法研究苯甲酸类化合物的结构和其pKa值的相关性     

计算多环苯型芳烃共振能的新方法—苯环计数(BRC)法

本文提出一个计算多环苯型烃共振能的新方法:简称BRC法。应用BRC法计算了48个稠环芳烃的的共振能。REBRC与SRT、HS—HMO、A—Ⅱ、SCF—MO等法计算的共振能之间都有良好的线性关系,相关系数分别为0.9961,0.9955,0.9940,0.9874。良好的线性关系也存在于REPEERC与UV吸收中的P带能     

First principles calculations of relationship between the Cu surface states and relaxations

In this paper the relationship between the surface relaxations and the electron density distributions of surface states of Cu(100), Cu(110), and Cu(111) surfaces is obtained by first-principles calculations. The calculations indicate that relaxations mainly occur in the layers at which the surface states electrons are localized, and the magnitudes of the multilayer relaxations correspond to the difference of electron density of surface states between adjacent layers. The larger the interlayer relaxation is, the larger the difference of electron density of surface states between two layers is.     

Correlation of Two Coupled Particles in Viscoelastic Medium

Considering the viscoelastic memory effect, we study the correlated motion of two hydrodynamically coupled colloidal particles, each of which confined in a harmonic potential well, in a Kelvin-type and Maxwell-type viscoelastic medium. We find that viscoelastic relaxation plays a significant role in modifying the correlation, particularly the cross correlation. We also find that both the real and imaginary parts of the response function are significantly different from the viscous medium case. In particular there is a phase shift between the vanishing imaginary part and the maximal real part of the response function in a viscoelastic medium. In addition imaginary part of the cross correlation response function exhibits a net energy loss （gain） behavior when the elasticity parameter of the medium is larger （smaller） than the critical value for Kelvin （Maxwell） viscoelastic fluid. Some implication of our results and their connection with previous works are discussed.     

超额吉布斯自由能–状态方程模型在含硫天然气中的应用研究

甲烷+硫化氢(CH₄+H₂S)体系汽液平衡(VLE)数据对酸性天然气脱硫具有重要意义，直接影响天然气脱硫的工艺设计。为了比较不同超额吉布斯自由能–状态方程(G^E-EoS)模型在再现甲烷–硫化氢体系相行为时的准确性，采用PR方程,从不同参考压力系下进行考虑，选择了Huron-Vidal (HV)、modified Huron-Vidal one-order (MHV1)、linear combination of Vidal and Michelson (LCVM)三种混合法则搭配Wilson、NRTL、UNIQUAC三种活度系数模型所组成9种GE-EoS模型，且将van der waals模型作为对比模型，探究了不同模型对二元混合物CH4+H2S的VLE数据的关联与预测上的表现，推荐PR+MHV1+UNIQUAC模型结合温度关联函数A+B×ln T来关联或预测二元混合物CH₄+H₂S在温度为273 K以下时的汽液相平衡相行为，为天然气脱硫工艺提供有效的参考。