Theory and application of numerical simulation method of capillary force enhanced oil production

A kind of second-order implicit upwind fractional step finite difference methods are presented for the numerical simulation of coupled systems for enhanced(chemical)oil production with capillary force in the porous media.Some techniques,e.g.,the calculus of variations,the energy analysis method,the commutativity of the products of difference operators,the decomposition of high-order difference operators,and the theory of a priori estimate,are introduced.An optimal order error estimate in the l~2 norm is derived.The method is successfully used in the numerical simulation of the enhanced oil production in actual oilfields.The simulation results are satisfactory and interesting.     

钝锥模型高焓流动的再压缩效应研究

在钝体高焓流动中,热化学非平衡效应使膨胀区壁面压力显著低于冻结流动,相关研究表明,再压缩效应可以消除上述差异. 为详细分析此问题,数值求解了Euler 方程,化学反应源项采用有限速率模型并考虑了5个组分,17 个基元反应. 结果表明,随着再压缩角的增大,热化学非平衡效应引起锥面压力先降后增非单调变化,这是由于再压缩流场中放热复合反应与吸热分解反应的强度变化决定的,其宏观表现为比热比的空间不均衡分布.      

含摩擦与碰撞平面多刚体系统动力学线性互补算法

基于接触力学理论和线性互补问题的算法, 给出了一种含接触、碰撞以及库伦干摩擦, 同时具有理想定常约束(铰链约束) 和非定常约束(驱动约束) 的平面多刚体系统动力学的建模与数值计算方法. 将系统中的每个物体视为刚体, 但考虑物体接触点的局部变形, 将物体间的法向接触力表示成嵌入量与嵌入速度的非线性函数,其切向摩擦力采用库伦干摩擦模型. 利用摩擦余量和接触点的切向加速度等概念, 给出了摩擦定律的互补关系式; 并利用事件驱动法, 将接触点的黏滞-滑移状态切换的判断及黏滞状态下摩擦力的计算问题转化成线性互补问题的求解. 利用第一类拉格朗日方程和鲍姆加藤约束稳定化方法建立了系统的动力学方程, 由此可降低约束的漂移, 并可求解该系统的运动、法向接触力和切向摩擦力, 还可以求解理想铰链约束力和驱动约束力. 最后以一个类似夯机的平面多刚体系统为例, 分析了其动力学特性, 并说明了相关算法的有效性.      

Controlled Stripping of Polyelectrolyte Multilayers by Quaternary Ammonium Surfactants

The quartz crystal microbalance with dissipation technique (QCM‐D) and atomic force microscopy (AFM) have been employed to study the interaction of N‐tetradecyl trimethyl ammonium bromide (TdTmAB) with polyelectrolyte multilayers containing poly(sodium 4‐styrene sulfonate) (PSS) as the polyanion and either poly(allylamine hydrochloride) (PAH) or poly(diallyl dimethyl ammonium chloride) (PDADMAC) as the polycations. The multilayers were exposed to aqueous solutions of TdTmAB. This resulted in a selective removal of PDADMAC PSS layers while layers with PAH as polycation remained stable. It is suggested that PDADMAC/PSS multilayers can be employed as strippable protecting layers.

     

Analyses of vibration responses on nanoscale processing in a liquid using tapping-mode atomic force microscopy

An analytical solution of the vibration responses of biological specimens using atomic force microscopy (AFM), which often requires operation in a liquid, is developed. In this study, the modal superposition method is employed to analyze the vibration responses of AFM cantilevers in tapping mode (TM) operated in a liquid and in air. The hydrodynamic force exerted by the fluid on AFM cantilevers is approximated by additional mass and hydrodynamic damping. The tip–sample interaction forces were transformed into axial, distributed transversal, and bending loading, and then applied to the end region of the AFM through the tip holder. The effects of transverse stress and bending stress were adopted to solve the dynamic model. With this model, a number of simulations were carried out to investigate the relationship between the transient responses of the cantilever in a liquid and the parameters considered in nanoscale processing. The simulations show that the vibration of AFM cantilevers in a liquid has dramatically different dynamic characteristics from these of that in air. The liquid reduces the magnitude of the transversal response and reduces the cantilever resonances. Moreover, the magnitudes of response become larger with increasing intermolecular distances and smaller with decreasing tip length. The cantilever vibration amplitudes significantly depend on the damping constant and the mass proportionality constant.     

Effect of titanium powder assisted surface pretreatment process on the nucleation enhancement and surface roughness of ultrananocrystalline diamond thin films

A superior, easy and single-step titanium (Ti) powder assisted surface pretreatment process is demonstrated to enhance the diamond nucleation density of ultrananocrystalline diamond (UNCD) films. It is suggested that the Ti fragments attach to silicon (Si) surface form bond with carbon at a faster rate and therefore facilitates the diamond nucleation. The formation of smaller diamond clusters with higher nucleation density on Ti mixed nanodiamond powder pretreated Si substrate is found to be the main reason for smooth UNCD film surface in comparison to the conventional surface pretreatment by only nanodiamond powder ultrasonic process. The X-ray photoelectron spectroscopic study ascertains the absence of SiC on the Si surface, which suggests that the pits, defects and Ti fragments on the Si surface are the nucleation centers to diamond crystal formation. The glancing-incidence X-ray diffraction measurements from 100 nm thick UNCD films evidently show reflections from diamond crystal planes, suggesting it to be an alternative powerful technique to identify diamond phase of UNCD thin films in the absence of ultra-violet Raman spectroscopy, near-edge X-ray absorption fine structure and transmission electron microscopy techniques.     

MeV-ion axial surface-channeling from an electron irradiated KCl(0 0 1) surface

Surface-channeling of protons incident with 5 mrad on an electron-irradiated surface is investigated using a 0.55 MeV beam of protons. The target surface is KCl(0 0 1), which is damaged by electron-stimulated desorption with 5 keV electron irradiation. The direction of the incident beam is adjusted along the 〈1 0 0〉 and 〈1 1 0〉 channeling conditions and the channeling-dips of the scattering yields are observed. The irradiation dose-dependence of the minimum yields and widths of the dips is measured. Two dips are compared, i.e., for the 〈1 0 0〉 and 〈1 1 0〉 channelings. By increasing the irradiation dose up to 2 × 10¹⁶ cm⁻², the dip around the 〈1 0 0〉 axis becomes opened, but that of the 〈1 1 0〉 axis becomes shallow. The irradiated surfaces are observed to have many overlapped terraces of sub-micron with monolayer steps. The surface morphology deformed by the irradiation effects to truncate trajectories of the 〈1 0 0〉 channeling protons. This roughness of the surface is more effective for the trajectories of the 〈1 1 0〉 channeling protons. The protons incident on the rough surface along the 〈1 1 0〉 axis are not reflected from the atomic row but reflected by a potential of the surface with steps. Results by a simple computer simulation of the trajectories of protons at stepped surfaces also indicate the scattering processes.     

Measurement of non-DLVO force on a silicon substrate coated with ammonium poly(acrylic acid) using scanning probe microscopy

The repulsive force originating from steric hindrance of polymers in aqueous solvent was investigated using scanning probe microscopy (SPM). The contact angle (CA) of ammonium poly(acrylic acid) (PAA) solution on the Si surface was measured to estimate the state of the Si substrate. Results of CA measurement show that the Si surface was fully covered with PAA at 0.1 mass% in aqueous solution. The interaction force between the Si tip and the wafer was estimated using the SPM force curve mode. The force curve measured in the ion-exchanged purified water showed the typical relation predicted by Derjaguin-Landau-Verway-Overbeek (DLVO) theory. However, the force curve shape in the 0.1 mass% PAA solution was significantly different. Only a repulsive force was observed at less than about 4 nm of separation distance between the Si wafer and cantilever tip. This distance originated from the steric repulsions of PAA adsorbed onto the Si wafer and cantilever tip.     

Magnesium-Free Immobilization of DNA Origami Nanostructures at Mica Surfaces for Atomic Force Microscopy

DNA origami nanostructures (DONs) are promising substrates for the single-molecule investigation of biomolecular reactions and dynamics by in situ atomic force microscopy (AFM). For this, they are typically immobilized on mica substrates by adding millimolar concentrations of Mg²⁺ ions to the sample solution, which enable the adsorption of the negatively charged DONs at the like-charged mica surface. These non-physiological Mg²⁺ concentrations, however, present a serious limitation in such experiments as they may interfere with the reactions and processes under investigation. Therefore, we here evaluate three approaches to efficiently immobilize DONs at mica surfaces under essentially Mg²⁺-free conditions. These approaches rely on the pre-adsorption of different multivalent cations, i.e., Ni²⁺, poly-l-lysine (PLL), and spermidine (Spdn). DON adsorption is studied in phosphate-buffered saline (PBS) and pure water. In general, Ni²⁺ shows the worst performance with heavily deformed DONs. For 2D DON triangles, adsorption at PLL- and in particular Spdn-modified mica may outperform even Mg²⁺-mediated adsorption in terms of surface coverage, depending on the employed solution. For 3D six-helix bundles, less pronounced differences between the individual strategies are observed. Our results provide some general guidance for the immobilization of DONs at mica surfaces under Mg²⁺-free conditions and may aid future in situ AFM studies.     

Vibrational properties of graphene and graphene layers

The phonon dispersions of graphene and graphene layers are theoretically investigated within fifth‐nearest‐neighbor force‐constant approach. Based on their symmetry groups, the number of Raman‐ and infrared‐active modes at the Γ point is given. Interatomic force constants are recalculated by fitting them to experimental phonon energy dispersion curves. Wavenumbers of optically active modes are presented as a function of number of layers (n). Our calculated results reproduce well the experimental data of G peak for graphene (1587 cm⁻¹) and graphite (1581.6 cm⁻¹) and clearly give the relation that ω_G = 1581.6 + 11/(1 + n^1.6). Copyright © 2009 John Wiley & Sons, Ltd.