Ab initio study of superoxide anion—water clusters O2 − (H2O)n=1-5

The structures, energies, Spectra, and charge transfer to solvent (CTTS) energies of the hydrated superoxide anion clusters have been investigated using both density functional calculations (DFT) with Becke-3-parameters employing Lee-Yang-Parr functionals (B3LYP) and second-order M?ller Plesset perturbation (MP2) calculations employing highly diffuse basis sets. Given the good agreement of our predicted results with the experimental spectra and enthalpy, it would be interesting if the CTTS energies could be experimentally determined.     

Influence of Excitation Pulse Width on the Second-Order Correlation Functions of the Exciton-Biexciton Emissions

We investigate theoretically the population dynamics and the second-order correlation functions of photon emissions from the biexciton-exciton system of a single quantum dot with excitation from pulses to continuous wave. The dynamic equations of the correlation functions are deduced by applying quantum regression theorem to optical Bloch equations. The influences of excitation pulse width on the correlation function have been discussed in detail.     

Periodic solutions of Wick-type stochastic Korteweg–de Vries equations

Nonlinear stochastic partial differential equations have a wide range of applications in science and engineering. Finding exact solutions of the Wick-type stochastic equation will be helpful in the theories and numerical studies of such equations. In this paper, Kudrayshov method together with Hermite transform is implemented to obtain exact solutions of Wick-type stochastic Korteweg–de Vries equation. Further, graphical illustrations in two- and three-dimensional plots of the obtained solutions depending on time and space are also given with white noise functionals.     

BaLaB_9O_(16)∶Eu,Tb的真空紫外光谱特性

采用高温固相反应法合成了BaLaB9O1 6 ∶RE (RE =Eu ,Tb)等离子荧光体 ,测量了它们的真空紫外激发光谱和 14 7nm激发下的发射光谱。结果表明 ,硼氧阴离子基团基质吸收带位于 15 0nm附近 ,Eu3 电荷迁移带位移 2 5 0nm附近 ,Tb3 的 4f 5d吸收位于 15 0～ 2 60nm的区域内 ,相关数据表明 ,基质与稀土离子之间存在能量传递。     

The Role of Biofilm Growth in Bacteria-Facilitated Contaminant Transport in Porous Media

Groundwater contaminants adhered to colloid surfaces may migrate to greater distances than predicted by using the conventional advective-dispersive transport equation. Introduction of exogenous bacteria in a bioremediation operation or mobilization of indigenous bacteria in groundwater aquifers can enhance the transport of contaminants in groundwater by reducing the retardation effects. Because of their colloidal size and favorable surface conditions, bacteria can be efficient contaminant carriers. In cases where contaminants have low mobility because of their high partition with aquifer solids, facilitated contaminant transport by mobile bacteria can create high contaminant fluxes. In this paper, we developed a methodology to describe the bacteria-facilitated contaminant transport in a subsurface environment using the biofilm theory. The model is based on mass balance equations for bacteria and contaminant. The contaminant is utilized as a substrate for bacterial growth. Bacteria are attached to solid surfaces as a biofilm. We investigate the role of the contaminant adsorption on both biofilm and mobile bacteria on groundwater contaminant transport. Also, the effect of bacterial injection on the contaminant transport is evaluated in the presence of indigenous bacteria in porous media. The model was solved numerically and validated by experimental data reported in the literature. Sensitivity analyses were conducted to deduce the effect of critical model parameters. Results show that biofilm grows rapidly near the top of the column where the bacteria and contaminant are injected, and is detached by increasing fluid shear stress and re-attach downstream. The adsorption of contaminant on bacterial surfaces reduces contaminant mobility remarkably in the presence of a biofilm. The contaminant concentration decreases significantly along the biofilm when contaminant partition into bacteria. Bacterial injection and migration in subsurface environments can be important in bioremediation operations regardless of the presence of indigenous bacteria.     

带阻尼项一维非等熵流方程组初边值问题解的收敛速度

研究了带阻尼项一维非等熵流方程组的初边值问题 ,利用能量估计的办法证明了整体解的存在性和得到在 L2 -模及 L∞ -模意义下解的大时间状态稳定性估计