真空下气-固界面热适应系数的数值计算

根据热适应系数的理论研究成果,结合国外学者的部分实验数据,对气-固界面热适应系数的主要影响因素进行定性的讨论;同时在S.Song和M.M.Yovannovich的公式基础上,最小二乘法拟合国外学者低温下实验测量的热适应系数,采用C语言编程算出拟合公式中的参数,分析拟合公式α=aFM/(b+M)+2.4μ(1-F)/(1+μ)2,F=exp(c(T-T0)/T0)中的参数a,b,c的特性;数值计算迭代收敛和拟合公式的计算误差在±20%以内表明:数值拟合公式可用在工程上计算热适应系数,S.Song和M.M.Yovannovich的公式可数值拟合低温下不同气-固界面的热适应系数的计算公式。     

Molecular dynamics simulation of thermal accommodation coefficients for laser-induced incandescence sizing of nickel particles

Extending time-resolved laser-induced incandescence (TiRe-LII), a diagnostic traditionally used to characterize soot and other carbonaceous particles, into a tool for measuring metal nanoparticles requires knowledge of the thermal accommodation coefficient for those systems. This parameter can be calculated using molecular dynamics (MD) simulations provided the interatomic potential is known between the gas molecule and surface atoms, but this is not often the case for many gas/surface combinations. In this instance, researchers often resort to the Lorentz–Berthelot combination rules to estimate the gas/surface potential using parameters derived for homogeneous systems. This paper compares this methodology with a more accurate approach based on ab initio derived potentials to estimate the thermal accommodation coefficient for laser-energized nickel nanoparticles in argon. Results show that the Lorentz–Berthelot combining rules overestimate the true potential well depth by an order of magnitude, resulting in perfect thermal accommodation, whereas the more accurate ab initio derived potential predicts an accommodation coefficient in excellent agreement with experimentally-determined values for other metal nanoparticle aerosols. This result highlights the importance of accurately characterizing the gas/surface potential when using MD to estimate thermal accommodation coefficients for TiRe-LII.     

The dependence of accommodation coefficient on surface temperature

The dependence of energy accommodation coefficients of inert gases on clean metal surfaces is analyzed in the framework of classical lattice theory. It is found that a Knudsen layer must exist next to the surface to adjust the gas molecular velocity distrivution to surface conditions. At energies below the well-depth, the accommodation coefficient slope is inversely proportional to the square root of the temperature; at energies above the welldepth, the accommodation coefficient is independent of surface temperature.     

Derivation of a temperature-dependent accommodation coefficient for use in modeling laser-induced incandescence of soot

This paper presents a derivation of an expression to estimate the accommodation coefficient for gas collisions with a graphite surface, which is meant for use in models of laser-induced incandescence (LII) of soot. Energy transfer between gas molecules and solid surfaces has been studied extensively, and a considerable amount is known about the physical mechanisms important in thermal accommodation. Values of accommodation coefficients currently used in LII models are temperature independent and are based on a small subset of information available in the literature. The expression derived in this study is based on published data from state-to-state gas-surface scattering experiments. The present study compiles data on the temperature dependence of translational, rotational, and vibrational energy transfer for diatomic molecules (predominantly NO) colliding with graphite surfaces. The data were used to infer partial accommodation coefficients for translational, rotational, and vibrational degrees of freedom, which were consolidated to derive an overall accommodation coefficient that accounts for accommodation of all degrees of freedom of the scattered gas distributions. This accommodation coefficient can be used to calculate conductive cooling rates following laser heating of soot particles.     

Poiseuille problem for an ellipsoidal-statistical equation and nearly specular boundary conditions

An analytical solution of the Poiseuille problem is obtained over a wide range of Knudsen numbers for the case when the tangential momentum accommodation coefficients of the channel walls are much less than unity. An expression for the mass flux is derived that is valid for Knudsen numbers much smaller than the reciprocal of the accommodation coefficients. A new intermediate flow regime, for which the mass flux is given by an expression that differs from the classical (macroscopic) form, is found to exist. Zh. Tekh. Fiz. 68, 27–31 (November 1998)     

Thermal accomodation coefficients by high speed vibration of solid samples: I. Method and apparatus

A method and apparatus to determine thermal accommodation coefficients are described in which solid samples are vibrated at high velocity in the presence of a test gas at low pressure. Energy transfer between the incident gas molecules and the moving surface causes an increase in the solid temperature which is related to, and approximately proportional directly to the thermal accommodation coefficient and inversely to the emissivity. The apparatus may be used over a wide range of temperatures and pressures in the long mean-free-path region with many types and forms of solid samples. Measurements as a function of pressure may yield information on internal energy accommodation, as well as translational accommodation, in favorable circumstances. Results at room temperature for O₂, N₂, and Ar on uncoated and greased Pt, Ni, and Cu surfaces, and on carbon coated Pt are presented.     

Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations

A multiscale hybrid method for coupling the direct simulation Monte Carlo (DSMC) method to the nonequilibrium molecular dynamics (NEMD) method is introduced. The method addresses Knudsen layer type gas flows within a few mean free paths of an interface or about an object with dimensions of the order of a few mean free paths. It employs the NEMD method to resolve nanoscale phenomena closest to the interface along with coupled DSMC simulation of the remainder of the Knudsen layer. The hybrid DSMC/NEMD method is a particle based algorithm without a buffer zone. It incorporates a new, modified generalized soft sphere (MGSS) molecular collision model to improve the poor computational efficiency of the traditional generalized soft sphere GSS model and to achieve DSMC compatibility with Lennard-Jones NEMD molecular interactions. An equilibrium gas, a Fourier thermal flow, and an oscillatory Couette flow, are simulated to validate the method. The method shows good agreement with Maxwell–Boltzmann theory for the equilibrium system, Chapman–Enskog theory for Fourier flow, and pure DSMC simulations for oscillatory Couette flow. Speedup in CPU time of the hybrid solver is benchmarked against a pure NEMD solver baseline for different system sizes and solver domain partitions. Finally, the hybrid method is applied to investigate interaction of argon gas with solid surface molecules in a parametric study of the influence of wetting effects and solid molecular mass on energy transfer and thermal accommodation coefficients. It is determined that wetting effect strength and solid molecular mass have a significant impact on the energy transfer between gas and solid phases and thermal accommodation coefficient.     

Influence of buried hydrogen-bonding groups within monolayer films on gas-surface energy exchange and accommodation

Self-assembled monolayers (SAMs) of carbonyl-containing alkanethiols on gold are employed to explore the influence of hydrogen-bonding interactions on gas-surface energy exchange and accommodation. H-bonding, COOH-terminated SAMs are found to produce more impulsive scattering and less thermal accommodation than non-H-bonding, COOCH3-terminated monolayers. For carbamate-functionalized SAMs of the form Au/S(CH2)16OCONH(CH2)(n-1)CH3, impulsive scattering decreases and accommodation increases as the H-bonding group is positioned farther below the terminal CH3.     

层间稀薄气体传热对多层绝热材料性能的影响分析

通过建立的热量传递模型,分析了不同的气体稀薄程度(Knudsen数)时,气体传热对多层绝热材料有效热导率和各层温度分布的影响。分析表明:由多层绝热材料真空度变化引起的稀薄气体传热量波动较大,在10—60层/cm层密度范围,真空度低于100Pa时,Kn数属于自由分子状态区域和中间压强区域,此时材料的有效热导率随残留气体热适应系数的增大而减小,并随着真空度的降低而增大;当残留气体为空气时,为保证多层材料的绝热性能,尽量维持真空度不低于10-2Pa。同时分析表明,为有效降低低真空下稀薄气体传热对多层绝热性能的影响,可以采用综合热适应系数较低的气体置换夹层中的空气,以减少低真空多层绝热材料的有效热导率,改善绝热性能。     

Kinetic theory of gas-surface interaction

The kinetics of particle and energy exchange between gas and surface is treated in analogy to the transport of particles and energy in solutions using Onsager's theory of nonequilibrium thermodynamics. In addition to the coefficients of sticking and thermal accommodation a third kinetic coefficient is introduced describing the coupling of particle and energy transport. This coupling turns out to be particularly important at low temperatures reducing the accommodation coefficient from 2 to 1.The Onsager coefficients are then expressed in terms of the scattering properties of the surface. A simple model is treated to illustrate the general results and to provide estimates for the kinetic coefficients.Extract from doctoral thesis of H.M. submitted to Fachbereich Physik, Techn. Universität München, 1978     

固-液界面热整流现象的气体运动论分析

本文采用非平衡态分子动力学模拟方法,研究了固-液界面体系中的热整流现象。系统的两端为固体,而流体处于中间夹层,两端固-液界面的势能参数不同。模拟计算结果表明,此系统实现热整流的原因是左右两端固体壁面对流体分子吸附特性的不对称性。基于气体运动论的分析表明,高低温固体壁面所吸附流体分子数、温度协调系数和系统压强在正反向传热过程中均存在一定差异,从而形成了热整流效应;并且两端固-液界面差异性越大,热整流现象越明显。     

Influence of the temporal response of the detection system on time-resolved laser-induced incandescence signal evolutions

Time-resolved LII (TIRE-LII) measurements are performed simultaneously at two different wavelengths in a sooting, premixed, flat acetylene flame under atmospheric pressure conditions. The influence of temporal response of the detection system on the measured evolution of the LII signal is discussed. The effect of the temporal response on the determination of particle size distributions is quantified for data evaluation starting some nanoseconds after the maximum particle ensemble temperature. Furthermore, it is investigated how the temporal response of a slow detection system affects the determination of accommodation parameters, e.g. thermal accommodation coefficients, and evaporation coefficients, if TIRE-LII signals are modelled including particle heating as well as particle cooling, and if deconvolution techniques are not applied to the measured LII signal. PACS 85.60.Gz     

Molecular dynamics simulations of translational thermal accommodation coefficients for time-resolved LII

Time-resolved laser-induced incandescence demands precise knowledge of the thermal accommodation coefficient, but little is known about the gas-surface scattering physics that underlies this parameter. This paper presents a molecular dynamics simulation that shows how the thermal accommodation coefficient is influenced by the gas molecular mass and gas temperature. The molecular dynamics results also define scattering kernels that can be used as boundary conditions in Direct Simulation Monte Carlo simulations of heat and momentum transfer between soot aggregates and surrounding gas molecules.     

Theoretical and numerical studies of non-equilibrium slip effects on a catalytic surface

A new concentration slip model to describe the rarefied gas effect on the species transport in microscale chemical reactors was derived from the approximate solution of the Boltzmann equation. The present model is more general and recovers the existing models in the limiting cases. The analytical results showed that the concentration slip is dominated by two different mechanisms, the reaction induced concentration slip (RIC) and the temperature slip induced concentration slip (TIC). The magnitude of RIC slip is proportional to the product of the Damköhler number and Knudsen number. The impact of the velocity, concentration and temperature slips on the coupling between the surface catalytic reactions and the homogeneous gas phase reactions was examined using the detailed chemistry of hydrogen and methane within a wide range of accommodation coefficients in a two-dimensional microscale chemical reactor. The results showed that the impact of reaction induced concentration slip (RIC) effects on catalytic reactions strongly depends on the Damköhler number, the Knudsen number and the surface accommodation coefficient. It was found that the TIC slip had a strong effect on the fuel oxidation rates and the RIC slip dramatically changed the mass fraction distributions of radicals, especially when the mass accommodation coefficients were far less than unity.     

The thermophysical properties of low‐temperature Pb plasma

The thermophysical properties of low‐temperature Pb plasma are calculated at temperatures 10–100 kK and densities below 0.2 of the solid‐state value. The thermodynamic values (pressure and internal energy) and transport coefficients (electrical conductivity, thermal conductivity, and thermal power) are considered. The plasma composition and thermodynamic parameters are obtained within the chemical approach, namely by means of the solution of the corresponding system of the coupled mass action law equations. Atom ionization up to +4 is taken into consideration. The electronic transport coefficients are calculated within the relaxation time approximation. The results obtained by means of the present model are compared with the available data of other models and experiments.     

微圆管进口区气体流动与换热特性研究

对微圆管进口区运用一阶速度滑移和温度跳跃边界,考察了Kn、动量调和及热调和系数对流动与换热特性的影响机理和规律.模拟结果表明:流动进口段长度随Kn增加而增加,但随动量调和系数减小而减小;热进口段长度随Kn增加而增加,但随动量调和系数及热调和系数减小而减小;Nu数随Kn增加及热调和系数减小而减小,但随动量调和系数减小而增加.     

Cloud of strings in f(R) gravity

We derive the solution for a spherically symmetric string cloud configuration in a d-dimensional spacetime in the framework of f(R) theories of gravity. We also analyze some thermodynamic properties of the joint black hole-cloud of strings solution. For its Hawking temperature, we found that the dependence of the mass with the horizon is significantly different in both theories. For the interaction of a black hole with thermal radiation, we found that the shapes of the curves are similar, but shifted. Our analysis generalizes some known results in the literature.     

Transport properties of H–N2 mixtures

Transport coefficients (shear viscosity, volume viscosity, thermal conductivity, and mass and thermal diffusion coefficients) of H–N₂ mixtures in the dilute-gas limit have been calculated from the intermolecular potential in the temperature range 300–2000K using the classical trajectory method. The intermediate results pertaining to H–N₂ binary interactions are reported, mainly in terms of cross-section ratios. Cross-sections evaluated with the Mason–Monchick approximation yield very good results for this system, the largest deviations, about 2.5%, being observed for the thermal diffusion coefficient. The accuracy here of this approximation can primarily be attributed to a light H atom and a weakly non-spherical potential resulting in a high rotational collision number. Furthermore, we investigate to which H–N₂ cross-sections and their ratios the values of the mixture transport coefficients are most sensitive. Our results indicate that, for some cross-section ratios, reliance on universal correlations at high temperatures, often used in flame codes, can induce sizeable errors in the thermal conductivity coefficient and especially in the thermal diffusion coefficients. We also observed that the volume viscosity is particularly sensitive to the value of the cross-section for internal energy relaxation in H–N₂ collisions.     

Limited transverse sizes of a droplet cloud under disintegration of a water mass during its fall from a great height

The main stages of the formation of a droplet cloud during the disintegration of water masses (with an initial volume of 0.05–1 L) during their free fall from a great height (up to 15 m) have been determined. High-speed (up to 6 × 10⁵ frames per second) video cameras were used to perform 3D video recording of the transformation and destruction of water mass with the formation of a droplet cloud. It is found that the transverse sizes of the newly formed droplet cloud rapidly increase when the mass passes the first few (up to 10) meters from the onset of falling. It is shown that the maximum cross-sectional areas of the water mass change only slightly with an increase in the discharge height at heights above 10 m. A model of limited growth of the transverse sizes of droplet cloud is developed for the first time based on the results of large-scale experiments.     

The effect of particle size on the thermal conductivity of alumina nanofluids

We present new data for the thermal conductivity enhancement in seven nanofluids containing 8–282 nm diameter alumina nanoparticles in water or ethylene glycol. Our results show that the thermal conductivity enhancement in these nanofluids decreases as the particle size decreases below about 50 nm. This finding is consistent with a decrease in the thermal conductivity of alumina nanoparticles with decreasing particle size, which can be attributed to phonon scattering at the solid–liquid interface. The limiting value of the enhancement for nanofluids containing large particles is greater than that predicted by the Maxwell equation, but is predicted well by the volume fraction weighted geometric mean of the bulk thermal conductivities of the solid and liquid. This observation was used to develop a simple relationship for the thermal conductivity of alumina nanofluids in both water and ethylene glycol.