气体-表面相互作用中动量和能量分量间转化机制的分子动力学研究

气体分子与壁面之间的相互作用是影响稀薄气体流动状态的主要因素,但是由于其物理上的复杂性和微观性,这一过程的机理并没有得到充分揭示.本文利用分子束法对Ar分子在金属Pt表面的碰撞过程进行了分子动力学模拟,并探究了入射速度、角度和壁面粗糙度对动量、能量转化机制的影响.结果表明,当气体分子以5o的极角入射时,分子的法向速度分量占主导因素,在与壁面发生碰撞之后,分子的切向和法向动量都会损失,法向动能会向切向转移,并且当分子速度不低于2.0时,切向和法向动能的比值会稳定在一个很小的区间,而粗糙度对动量和能量转化的影响不明显.与小角度入射时不同,当气体分子以75o的极角与金属表面碰撞时,粗糙度的影响就不能再被忽略了.大极角入射的气体分子在光滑壁面散射之后,其运动规律基本符合Maxwell所假设的镜面反射,动量和能量分量的变化都不明显.而粗糙度的引入则会促进气体分子切向动量和能量向法向转移,并且会使分子总能量的损失更加显著.

在表面活性剂-气体交替泡沫驱中通过长时间分流来提高石油采收率的现场试验研究——长期注气过程中泡沫具有降低气体流度的能力，试验结果对计算近井气体流度、注入能力以及更大表面活性剂段塞的表-气交替泡沫驱的现场应用能起到指导作用

注气驱可以有效地驱替出气体波及区内的原油，但注入气波及效率不高，泡沫是提高波及效率的一种有前景的技术。在哥伦比亚Cusiana油田Mirador储层表面活性剂－气体交替泡沫驱现场试验中，处理区域的直径约为5．3m。当注气24～41PV、220PV和1250PV（PV为处理区域孔隙体积）时，该区域的气体流度系数分别为0．12、0．27和0．51。试验结果表明，长期注气过程中泡沫具有降低气体流度的能力．试验结果对计算近井气体流度、注入能力以及更大表面活性剂段塞的表面活性剂气体交替泡沫驱的现场应用能起到指导作用。无限期注气后泡沫强度仍然很低的模型拟合的泡沫参数与该现场试验中泡沫的长期动态不符。

气体与表面相互作用——最新的观察与解释

在过去十年内，随着计算机的广泛使用和性能的显著提高，稀薄气体动力学研究的课题更加充实丰富，在实验方法和仪器设备方面也有重要进展．本文第一部分叙述粒子表面动力学的最新研究进展，其中发现选定状态的离子的速度和转动能是入射束的离开方向和参数的函数．最近，与实验一起进行了大量计算机模拟，表明二者相结合的研究是很有益的．在束流实验中，所产生的散射粒子的速度分布和密度与数值模拟结果符合得很好．第二部分介绍了更直接地与非常高的大气层中的飞行和测量相联系的气体壁面相互作用的研究．本节从考察一些年前完成的离子束与表面相互作用开始．它提供了很有参考意义的与现代研究结果的比较，并给出了有用的标准．本文接下去探讨了“火星探索者”外形，它在过去几年内一直是一些风洞和计算研究的课题．

Improved Correlation for the Volume of Bubble Formed in Air-Water System

In order to address the bubble formation and movement in air-water two-phase flow,single bubble rising in stagnant water is experimentally studied by digital image processing.Bubbles are released individually from the submerged orifices with different diameters(1.81 mm,2.07 mm,2.98 mm,3.92 mm)at different detachment frequency.Images are recorded by a high-speed video camera and processed by digital image processing technique. The factors impacting the formed volume of bubble are discussed.The experimental results showed that a threshold of gas flow rate(400 mm 3 ·s- 1)divides the bubble formation into two regimes:the constant volume regime and the growing volume regime.Especially for the growing volume regime,the surface tension is taken into account.The bubble volume is consisted of two parts:the surface tension impacting part and the gas volume flow rate impacting part.An improved correlation for bubble volume prediction is developed for the two regimes and better coincidence with the experiment data than the previous models is obtained.

Simulation of liquid-gas flow in full-scale Caroussel oxidation ditch with surface aeration

A model for liquid-gas flow （MLGF）, considering the flee movement of liquid surface, was built to simulate the wastewater velocity field and gas distribution in a full-scale Caroussel oxidation ditch with surface aeration. It was calibrated and validated by field measurement data, and the calibrated parameters and sections were selected based on both model analysis and numerical computation. The simulated velocities of MLGF were compared to that of a model for wastewater-sludge flow （MWSF）. The results show that the free liquid surface considered in MLGF improves the simulated velocity results of upper layer and surface. Moreover, distribution of gas volume fraction （GVF） simulated by MLGF was compared to dissolved oxygen （DO） measured in the oxidation ditch. It is shown that DO distribution is affected by many factors besides GVF distribution.

3D numerical investigation of effects of density and surface tension on mixing time in bottom-blown gas-stirred ladles

In molten phase metallurgical processes,mixing via gas injection has a vital role in obtaining a homogeneous product.The efficiency of mixing depends on operational variables such as gas flow rate and slag height as well as physical properties of the molten phases.A numerical simulation is conducted to study the above parameters in the flow behavior of a bottom-blown bath.The molten metal and the slag are modeled by water and oil,respectively.The numerical results,particularly the mixing time,are validated against experimental data.The results show that mixing time increases as the slag height increases and decreases as the density of the slag material increases.The mixing time decreases with an increase in the density of the primary phase;however,it increases as the surface tension between air and water increases.A case with properties close to a real molten metal is also modeled.The performance of the system is influenced by the momentum rather than the dissipative forces.Thus,the effect of the density of the molten phase on the mixing process is more pronounced compared to the effect of the surface tension between the air and the molten phase.

Study of Multilayer Flow Insulation Utilizing Open-Cellular Porous Plates

To improve the performance of the single layer flow insulation system utilizing open-cellular porous plate, the multilayer porous gas enthalpy-radiation converter is proposed and investigated experimentally and theoretically. Two open-cellular porous materials with different porosity pore per inch and surface reflectivity have been examined. Each porous plate has the same thickness of a half of the single layer one. Both porous materials are not combined continuously but divided by free space. For the prediction model, two energy equations of the fluid and solid phases are employed, in which the convective heat transfer between both phases is described based on the empirical volumetric heat transfer coefficient. In addition, the radiative transfer equations are resolved by Pj approximation. When an equivalent blackbody radiation temperature of the radiation coming from the upstream region exceeds inlet gas temperature, use of a high reflective porous plate on the upstream side and a low reflective porous plate on the downstream side is quite effective to increase gas temperature drop across the converter. the multilayer porous converter should be made of pure scattering and porous layer, respectively. In order to obtain maximum gas temperature drop in that case, pure absorbing porous plate as the upstream and downstream

Mixed P3HT/PCBM Organic Thin-Film Transistors： Relation between Morphology and Electrical Characteristics

The mixed P3HT （poly（3-hexylthiophene）） and [6,6]-PCBM （phenyl C61-butyric acid methyl ester） organic thin films were investigated for electronic structure using UV-Vis spectrophotometer and PESA （photo-electron spectroscopy in air）. Furthermore, ESR （electron spin resonance） and AFM （atomic force microscopy） were used to investigate the surface morphology and molecular orientation, respectively. ESR analysis indicated the molecular orientation of the P3HT crystalline in the blend thin films, which the crystalline oriented normal to the substrate with distribution of 35°. AFM images indicated that the surface morphology of P3HT film was affected by the presence of PCBM nanoparticles. Solution-processed OTFTs （organic thin-film transistors） based on P3HT/PCBM blend thin film in a top source-drain contact structure was fabricated, and the electrical characteristics of the devices were also investigated. A unipolar property with p-channel characteristics were obtained in glove box measurement.

直接模拟蒙特卡罗羽流模拟的两相作用模型

为了数值模拟包含气体分子和凝相颗粒的两相羽流场,使用自主开发的羽流计算软件(PWS)对两相作用模型进行研究。计算均匀气流对颗粒的加速过程,结果与理论解一致,证明气体分子对颗粒的单向作用模型合理。计算气体分子在颗粒表面的反射时,将全局坐标系转换到颗粒坐标系确定其法线,再转换到法线坐标系进行镜面反射或漫反射。将这种间接法与使用反射向量的分布函数的直接法进行了对比。对同一个气体分子在颗粒表面的反射进行1×106次数值试验,两种方法所得镜面反射的速度向量均符合空间均匀分布,漫反射的速度向量分布相互一致。使用两种方法模拟150N液体火箭发动机的两相羽流场,所得气相羽流场几乎相同,间接法计算效率较高。液滴颗粒对气流场的影响主要集中在轴线附近,与无液滴的气流场相比,有液滴时会使气流温度升高、压强增大、马赫数减小。

Simulation of mold filling and prediction of gas entrapment on practical high pressure die castings

Element parameters including volume filled ratio,surface dimensionless distance,and surface filled ratio for DFDM(direct finite difference method)were proposed to describe shape and location of free surfaces in casting mold filling processes.A mathematical model of the filling process was proposed specially considering the mass,momentum and heat transfer in the vicinity of free surfaces.Furthermore,a method for gas entrapment was established by tracking flow of entrapped gas.The model and method were applied to practical ADC1 high pressure die castings.The gas entrapment prediction was compared with the fraction and maximum size of porosities in the different casting parts.The comparison shows validity of the proposed model and method.The study indicates that final porosities in high pressure die castings are dependent on both gas entrapment during mold filling process and pressure transfer within solidification period.

Research on forced gas draining from coal seams by surface well drilling

Surface drilling was performed at the Luling Coal Mine,in Huaibei,to shorten the period required for gas draining.The experimental study was designed to reduce the cost of gas control by efficiently draining gas from the upper protected layer.The structural arraignment and technical principles of pressure relief via surface drilling are discussed.Results from the trial showed that gas drained from the surface system over a period of 10 months.The total amount of collected gas was 248.4 million m^3.The gas draining occurred in three stages：a growth period;a period of maximum gas production;and an attenuation period.The period of maximum gas production lasted for 4 months.During this time the methane concentration ranged from 60%to 90%and the average draining rate was 10.6 m^3/min.Combined with other methods of draining it was possible to drain 70.6%of the gas from middle coal seam groups.The amount of residual gas dropped to 5.2 m^3/ton,and the pressure of the residual gas fell to 0.53 MPa, thereby eliminating the outburst danger in the middle coal seam groups.The factors affecting pressure relief gas draining by surface drilling were analysed.

Surface Trace Gases at a Rural Site between the Megacities of Beijing and Tianjin

The North China Plain(NCP) has recently faced serious air quality problems as a result of enhanced gas pollutant emissions due to the process of urbanization and rapid economic growth.To explore regional air pollution in the NCP,measurements of surface ozone(O3),nitrogen oxides(NOx),and sulfur dioxide(SO2) were carried out from May to November 2013 at a rural site(Xianghe) between the twin megacities of Beijing and Tianjin.The highest hourly ozone average was close to 240 ppbv in May,followed by around 160 ppbv in June and July.High ozone episodes were more notable than in 2005 and were mainly associated with air parcels from the city cluster in the hinterland of the polluted NCP to the southwest of the site.For NOx,an important ozone precursor,the concentrations ranged from several ppbv to nearly 180 ppbv in the summer and over 400 ppbv in the fall.The occurrence of high NOx concentrations under calm conditions indicated that local emissions were dominant in Xianghe.The double-peak diurnal pattern found in NOxconcentrations and NO/NOx ratios was probably shaped by local emissions,photochemical removal,and dilution resulting from diurnal variations of surface wind speed and the boundary layer height.A pronounced SO2 daytime peak was noted and attributed to downward mixing from an SO2-rich layer above,while the SO2-polluted air mass transported from possible emission sources,which differed between the non-heating(September and October) and heating(November) periods,was thought to be responsible for night-time high concentrations.

Separation of Fine Particles by Using Colloidal Gas Aphrons

This paper presents a method of separation of fine particles, of the order of a few microns or less, from aqueous media by flotation using colloidal gas aphrons (CGAs) generated in aqueous solutions. More than 150 experiments were conducted to study the effects of surfactant type, surfactant concentration, CGAs flow rate, and particle concentration on the removal efficiency (fine particles of polystyrene were used as a target compound). The results indicate that CGAs, generated from cationic surfactant of hexdecyltrimethyl ammonicum bromide (HTAB) and anionic surfactant of sodium dodecylbenzne sulfonate (SDBS), are an effective method for the separation off ine particles of polystyrene from wastewater. The flotation yields are higher than 97%.

Viscoelastic Analysis of a Surface Acoustic Wave Gas Sensor Coated by a New Deposition Technique

An analysis of the response of surface acoustic wave sensors coated with polymer film based on new coating deposition （self-assemble and molecularly imprinted technology） is described and the response formulas are hence deduced. Using the real part of shear modulus, the polymer can be classified into three types： glassy film, glassy-rubbery film and rubbery film, Experimental results show that the attenuation response is in better consistence with the simulation than in Martin＇s theory, but the velocity response does not accord with the calculation exactly. Maybe it is influenced by the experimental methods and environment. In addition, simulations of gas sorption for polymer films are performed. As for glassy film, the SAW sensor response increases with increasing fihn thickness, and the relationship between the sensor response and the concentration of gas is pretty linear, while as for glassy-rubbery flint and rubbery film, the relationship between the sensor sensitivity anti concentration of gas is very complicated. The ultimately calculated results indicate that the relationship between the sensor response and frequency is not always linear due to the viscoelastic prooerties of the polymer.

Modeling of mass transfer characteristics of bubble column reactor with surfactant present

Danckwert’s method was used to determine the specific interfacial area, a, and the individual mass transfer coefficient, kL, during absorption of CO2 in a bubble column with an anionic surfactant in the carbonate-bicarbonate buffer solution and NaAsO2 as catalyst, the presence of which decreases the specific interfacial area and the individual mass transfer coefficient. The specific interfacial area and the individual mass transfer coefficient increase with increasing su- perficial gas velocity. The specific interfacial area decreases whereas the individual mass transfer coefficient increases with increasing temperature. The results of experiments were used to determine the dependence of a, kL, and kLa on the surface tension, the temperature of the absorption phase, and the superficial velocity of the gas. The calculated results from the correlation were found to be within 10% deviation from the actual experimental results.

A Mass Transfer Model Based on Individual Bubbles and an Unsteady State Film Mechanism

A gas-liquid mass transfer model based on an unsteady state film mechanism applied to a single bubble is presented. The mathematical model was solved using Laplace transform to obtain an analytical solution of concentration profile in terms of the radial position r and time t. The dynamic mass transfer flux was deduced and the influence of the bubble size was also determined. A mathematical method for deducing the average mass transfer flux directly from the Laplace transformed concentration is presented. Its accuracy is verified by comparing the numerical results with those from the indirect method. The influences of the model parameters, namely, the bubble size R, liquid film thickness δ, and the surface renewal constant s on the average mass transfer flux were investigated. The proposed model is useful for a better understanding of the mass transfer mechanism and an optimum design of gas-liquid contact equipment.

Surface performance of workpieces processed by electrical discharge machining in gas

The surface performance of workpieces processed by electrical discharge machining in gas(dry EDM)was studied in this paper.Firstly,the composition,micro hardness and recast layer of electrical discharge machined(EDMed)surface of 45 carbon steels in air were investigated through different test analysis methods.The results show that the workpiece surface EDMed in air contains a certain quantity of oxide,and oxidation occurs on the workpiece surface.Compared with the surface of workpieces processed in kerosene,fewer cracks exist on the dry EDMed workpiece surface,and the surface recast layer is thinner than that obtained by conventional EDM.The micro hardness of workpieces machined by dry EDM method is lower than that machined in kerosene,and higher than that of the matrix.In addition,experiments were conducted on the surface wear resistance of workpieces processed in air and kerosene using copper electrode and titanium alloy electrode.The results indicate that the surface wear resistance of workpieces processed in air can be improved,and it is related with tool material and dielectric.

Simulating Surface Aeration Systems at Different Scale of Mixing Time

Macro and micromixing time represent two extreme mixing time scales,which governs the whole hydrodynamics characteristics of the surface aeration systems.With the help of experimental and numerical analysis,simulation equation governing those times scale has been presented in the present work.

Simulation of Vapor Flows Between Two Closed Surfaces of Evaporation and Condensation at High Vacuum

The steady multi component vapor flows between two closed surfaces of evaporation and condensation are investigated numerically by the nonlinear Bhatnagar Gross Krook equation. The mathematical model will make it possible to determine the profiles of the process variables between two surfaces of evaporation and condensation if the conditions of evaporation and condensation surfaces are taken into consideration. It is used to simulate the vapor behaviors of the pure dibutylphthalate and the ethylhexyl phthalate ethylhexyl sebacate mixture. The effects of the liquid composition of the evaporation surface, the evaporation temperature, the condensation temperature and the distance between evaporation and condensation surfaces on the evaporation efficiency and separation factor are discussed.

STUDY ON CARRIER PURIFICATION TECHNOLOGY FOR HYDRAULIC OIL

The surface feature of contaminative oil is analysed and the theory of carrier purification technology for hydraulic oil is put forward. Experiments have been done in laboratory. The main performance of the purified oil has got to a level of new oil.