水平一上倾圆管水滴运移数值模拟研究

运用VOF模型对爬坡圆管油水两相三维流场进行了数值模拟,对油水分层波浪流产生的水滴的运移规律进行了研究.模拟研究表明,油水界面波是水滴产生的直接原因.对界面波动的相关参数与产生水滴的频率和体积的关系进行了研究,同时对所产生的水滴的几何参数(几何形状、长度、截面积等)、产生时间、间隔时间和出口流速也进行了讨论.     

Investigation of interfacial reaction kinetics of I(aq) with Ag2O(s) on Ag substrate: Determining mass transport and surface reaction rates

The reaction kinetics of AgI formation by reaction of Ag₂O films with aqueous iodide were followed by monitoring the open-circuit potential (E_OC). Previous studies have shown that complete conversion of Ag₂O to AgI is indicated by an abrupt transition in the E_OC from a value close to the equilibrium potential for the Ag|Ag₂O|H₂O system to one close to that for Ag|AgI|I⁻, allowing an easy determination of the total reaction time, τ_f. The solid–solution interfacial kinetic parameters can then be determined by measuring τ_f as a function of the initial amount of Ag₂O and the I⁻ concentration. In this study, the application of the technique was extended to examine the effect of I⁻(aq) transport to an Ag₂O surface by measuring τ_f as a function of electrode rotation rate. By studying the chemical conversion as a function of electrode rotation rate we are able to separate mass transport effects from the reaction kinetics. The interfacial reaction follows kinetics typical of a sequential binary-reaction system consisting of mass transport to, followed by reaction at, the surface. The mass transport rate was proportional to the square root of the electrode rotation rate, consistent with the well-established diffusion-boundary layer model for a rotating disc. Varying the rotation rate allows a quantitative extrapolation of the data to the infinite rotation rate to determine the chemical reaction rate at the surface.     

Theoretical challenges in understanding the inhibition mechanism of aluminum corrosion in basic media in the presence of some p-phenol derivatives

Using quantum electrochemical/thermodynamical approaches based on coupled cluster/polarized continuum models and density functional theory (CM/PCM–DFT), we investigated the corrosion inhibition mechanism of Al/NaOH system in the presence of some p-phenol derivatives. The influencing parameters on inhibitory action, i.e. charges on oxygen and hydrogen atoms of hydroxyl group, charge transfer, interaction energy, molecular activity and softness, electric dipole moment and de-solvation free energy, were determined for both neutral and deprotonated species at metal|solution interface. A good correlation was observed between these parameters and inhibition efficiency data reported in the literature. By introducing an appropriate thermodynamic procedure, we also determined the proton-loss tendency of the molecules nearby interface. The results were amazing and revealed a complicated protonation/deprotonation cycle for inhibitor species inside electrical double layer; the corrosive agents in the vicinity of metal surface become locally neutralized and pushed away.     

Simulations of microfluidic droplet formation using the two-phase level set method

Microdroplet formation is an emerging area of research due to its wide-ranging applications within microfluidic based lab-on-a-chip devices. Our goal is to understand the dynamics of droplet formation in a microfluidic T-junction in order to optimize the operation of the microfluidic device. Understanding of this process forms the basis of many potential applications: synthesis of new materials, formulation of products in pharmaceutical, cosmetics and food industries. The two-phase level set method, which is ideally suited for tracking the interfaces between two immiscible fluids, has been used to perform numerical simulations of droplet formation in a T-junction. Numerical predictions compare well with experimental observations. The influence of parameters such as flow rate ratio, capillary number, viscosity ratio and the interfacial tension between the two immiscible fluids is known to affect the physical processes of droplet generation. In this study the effects of surface wettability, which can be controlled by altering the contact angle, are investigated systematically. As competitive wetting between liquids in a two-phase flow can give rise to erratic flow patterns, it is often desirable to minimize this phenomenon as it can lead to a disruption of the regular production of uniform droplets. The numerical simulations predicted that wettability effects on droplet length are more prominent when the viscosity ratio λ (the quotient of the viscosity of the dispersed phase with the viscosity of the continuous phase) is O(1), compared to the situation when λ is O(0.1). The droplet size becomes independent of contact angle in the superhydrophobic regime for all capillary numbers. At a given value of interfacial tension, the droplet length is greater when λ is O(1) compared to the case when λ is O(0.1). The increase in droplet length with interfacial tension, σ, is a function of with the coefficients of the regression curves depending on the viscosity ratio.     

Preparation and Performance Evaluation of Fatty Amine Polyoxyethylene Ether Diethyl Disulfonate for Enhanced Oil Recovery in High‐Temperature and High‐Salinity Reservoirs

To enhance oil recovery in high‐temperature and high‐salinity reservoirs, a novel fatty amine polyoxyethylene ether diethyl disulfonate (FPDD) surfactant with excellent interfacial properties was synthesized. The interfacial tension (IFT) and contact angle at high temperature and high salinity were systematically investigated using an interface tension meter and a contact angle meter. According to the experimental results, the IFT between crude oil and high‐salinity brine water could reach an ultra‐low value of 10^?3 mN m^?1 without the aid of extra alkali at 90°C after aging. The FPDD surfactant has strong wettability alternation ability that shifts wettability from oil‐wet to water‐wet. The FPDD surfactant with a high concentration also has good emulsion ability under high‐temperature and high‐salinity conditions. Through this research work, we expect to fill the lack of surfactants for high‐temperature and high‐salinity reservoirs and broaden its great potential application area in enhanced oil recovery.     

Interfacial polymerization of pyrrole and in situ synthesis of polypyrrole/silver nanocomposites

We present a new synthetic approach leading to the formation of polypyrrole architectures in submicron level and to silver/polypyrrole nanocomposites via an interfacial polymerization in a water/chloroform interface. The oxidizing agent was either Ag(I) or Fe(III). In the first case, silver nanoparticles resulted. The mean diameter of the polypyrrole structures is in the range of 200-300 nm according to the addition or not of various surfactants. The progress of the reaction was studied by UV-visible spectroscopy, which also revealed the formation of a polaron band during the growth of the oligomers. The crystal structure of the polymers was examined by X ray diffractometry and all samples appeared to be amorphous, while the samples were further characterized by thermogravimetric analysis and FT-IR spectroscopy.     

CO2-乙醇体系中界面对流的混合格子Boltzmann方法三维模拟及实验验证（英文）

By using a hybrid lattice-Boltzmann–finite-difference method (hybrid LBM–FDM method), three-dimensional simulations of solutal interfacial convection were conducted for the process of CO2 absorption into ethanol. A self-renewal interface model is adopted as an interfacial perturbation model. The simulation results revealed some three-dimensional features of the induced interfacial convection, such as the development of diverging cellular flow and Rayleigh plume-like convection in liquid phase. The concentration distribution of the simulation result is validated and found to be in wel agreement with the Schlieren visualization results qualitatively. Addi-tionally, the mass transfer enhancements by interfacial convection were investigated via both simulation and experiment for the absorption process, and the mass transfer is shown to be enhanced by the interfacial convec-tion by about two-fold comparing with that by diffusion.     

Improvement in the breakdown endurance of high-κ dielectric by utilizing stacking technology and adding sufficient interfacial layer

Improvement in the time-zero dielectric breakdown (TZDB) endurance of metal-oxide-semiconductor (MOS) capacitor with stacking structure of Al/HfO₂/SiO₂/Si is demonstrated in this work. The misalignment of the conduction paths between two stacking layers is believed to be effective to increase the breakdown field of the devices. Meanwhile, the resistance of the dielectric after breakdown for device with stacking structure would be less than that of without stacking structure due to a higher breakdown field and larger breakdown power. In addition, the role of interfacial layer (IL) in the control of the interface trap density (D_it) and device reliability is also analyzed. Device with a thicker IL introduces a higher breakdown field and also a lower D_it. High-resolution transmission electron microscopy (HRTEM) of the samples with different IL thicknesses is provided to confirm that IL is needed for good interfacial property.     

Numerical Simulation of Interfacial Closures for 3D Bubble Column Flows

Numerical investigation of flow hydrodynamics in a square cross‐sectioned bubble column was conducted in a transient Euler‐Euler environment by applying the simulation tool Ansys CFX 14.0. The influence of the drag coefficient (C_D) was investigated and the results were also compared with drag force models. Furthermore, three different lift force models and a defined lift coefficient were studied. All results were compared with the available experimental data. All simulations were carried out for a single‐hole sparger with given aspect ratio (H/D) and superficial gas velocity.     

Thin-film composite crosslinked polythiosemicarbazide membranes for organic solvent nanofiltration (OSN)

In this work we report a new class of solvent stable thin-film composite (TFC) membrane fabricated on crosslinked polythiosemicarbazide (PTSC) as substrate that exhibits superior stability compared with other solvent stable polymeric membranes reported up to now. Integrally skinned asymmetric PTSC membranes were prepared by the phase inversion process and crosslinked with an aromatic bifunctional crosslinker to improve the solvent stability. TFC membranes were obtained via interfacial polymerization using trimesoyl chloride (TMC) and diaminopiperazine (DAP) monomers. The membranes were characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and contact angle measurement.The membranes exhibited high fluxes toward solvents like tetrahydrofuran (THF), dimethylformamide (DMF) and dimethylsulfoxide (DMSO) ranging around 20 L/m² h at 5 bar with a molecular weight cut off (MWCO) of around 1000 g/mol. The PTSC-based thin-film composite membranes are very stable toward polar aprotic solvents and they have potential applications in the petrochemical and pharmaceutical industry.