Mechanism of copper underpotential deposition at Pt(<Emphasis Type="Italic">hkl</Emphasis>)-electrodes: Quantum-chemical modelling

Mechanism of copper underpotential deposition at stepped faces of platinum single crystals Pt(hkl) is studied using cyclic voltammetry, scanning probe microscopy, and quantum-chemical modelling. It is shown that the first stage of UPD is one-dimensional decoration of the (100)- or (110)-orientated steps, then copper monolayer forms at (111)-terraces. The final stage is the secondary step decoration. Quantum-chemical modelling, with the using of long-distance potentials of the Cu-Pt and Cu-Cu pair interactions, allows estimating the energy of copper adsorption at different structure elements of the substrate (steps, kinks, terraces) and revealing the succession of the adatom monolayer formation; it also provides additional information for the identifying of the nature of voltametric peaks for different stages of the copper adsorption-desorption.     

求解复杂湍流的非线性涡黏性系数模型和代数应力模型

非线性涡黏性系数模型和代数应力模型联系了线性涡黏性系数湍流模型和完整的微分 雷诺应力模型.随着它们受到日益关注,其形式也越来越多样化.本篇综述的目的是对这些模 型加以总结并比较它们之间的共同点及不同之处,指出它们与完整微分雷诺应力模型之间的 关系,以及相对于线性涡黏性系数模型而言它们在预报流场上所具有的优势.     

Adsorption of atrazine on soils: model study

The adsorption of the widely used herbicide atrazine onto three model inorganic soil components (silica gel, gamma-alumina, and calcite (CaCO(3)) was investigated in a series of batch experiments in which the aqueous phase equilibrated with the solid, under different solution conditions. Atrazine did not show discernible adsorption on gamma-alumina (theta=25 degrees C, 3.8相似文献   

Fusion around the barrier for 7Li+12C

Fusion cross-sections for the ⁷Li + ¹²C reaction have been measured at energies above the Coulomb barrier by the direct detection of evaporation residues. The heavy evaporation residues with energies below 3 MeV could not be separated out from the α-particles in the spectrum and hence their contribution was estimated using statistical model calculations. The present work indicates that suppression of fusion cross-sections due to the breakup of ⁷Li may not be significant for ⁷Li + ¹²C reaction at energies around the barrier.     

Effects of Precursor Wetting Films in Immiscible Displacement Through Porous Media

A computer-aided simulator of immiscible displacement in strongly water-wet consolidated porous media that takes into account the effects of the wetting films is developed. The porous medium is modeled as a three-dimensional network of randomly sized unit cells of the constricted-tube type. Precursor wetting films are assumed to advance through the microroughness of the pore walls. Two types of pore wall microroughness are considered. In the first type of microroughness, the film advances quickly, driven by capillary pressure. In the second type, the meniscus moves relatively slowly, driven by local bulk pressure differences. In the latter case, the wetting film often forms a collar that squeezes the thread of oil causing oil disconnection. Each pore is assumed to have either one of the aforementioned microroughness types, or both. The type of microroughness in each pore is assigned randomly. The simulator is used to predict the residual oil saturation as a function of the pertinent parameters (capillary number, viscosity ratio, fraction of pores with each type of wall microroughness). These results are compared with those obtained in the absence of wetting films. It is found that wetting films cause substantial increase of the residual oil saturation. Furthermore, the action of the wetting films causes an increase of the mean volume of the residual oil ganglia.