Data on the Velocity Slip and Temperature Jump Coecients

Felix Sharipov Departamento de F sica, Universidade Federal do Paran a, Caixa Postal 19044, 81531-990 Curitiba, Brazil email: [email protected]; http://sica.ufpr.br/sharipov

Abstract Modeling microuidics it is necessary to calculate gas ows through micropumps, microvalves and other elements. A heat transfer through a gas in microscales must be also known for modeling of microsystems. Since the size of microsystems is close to the molecular mean free path, the gas rarefaction must be taken into account. If the Knudsen number is moderately small then gas ows and heat transfer can be calculated applying the continuum mechanics equations with the velocity slip and temperature jump boundary conditions. In the present work, a critical review of the theoretical results on the slip and jump coecients and their recommended data are given. 1. Introduction To calculate a transfer of mass, heat and momentum through a gas at an arbitrary rarefaction the kinetic Boltzmann equation (BE) [1, 2] must be solved or the direct simulation Monte Carlo (DSMC) method [3] must be applied. Till now, a numerical solving of the BE is very dicult task because of the complexity of its collision integral. The DSMC method also requires a lot of computational eorts. However, a moderate gas rarefaction can be taken into account on the level of the continuum mechanics equations if one applies the velocity slip and temperature jump boundary conditions. Such an approach allows us to avoid a numerical solving of the kinetic BE and application of the DSMC method for every specic problem. Let us introduce the Cartesian coordinates (xyz ) with the origin at a solid surface so as the x axis would be normal to the surface. Consider a gas occupying the semi-innite space x 0 and owing over the surface. Unlike the non-slip boundary condition, we assume the velocity to be not equal to zero on the surface but it to be dependent on the velocity prole uy (x) near the surface and on the temperature distribution Ts (y ) over the surface as uy = P d ln Ts vm duy + T , P dx dy at x = 0, (1)

probable molecular velocity at the surface temperature Ts , k is the Boltzmann constant, m is the molecular mass of the gas, P is the local pressure of the gas, is the mass density of the gas, P is the viscous slip coecient (VSC), and T is the thermal slip coecient (TSC). To calculate a temperature distribution in a gas we substitute the temperature continuity on the gas-solid boundary by the temperature jump condition, which reads Tg = Ts + T vm dTg , P dx at x = 0, (2)

where, uy is the tangential component of the gas velocity, is the gas viscosity, vm = 2kTs /m is the most

where Tg is the gas temperature near the solid surface and T is the temperature jump coecient (TJC). It should be noted that unlike many papers, where the slip and jump boundary conditions are applied, the denitions (1) and (2) do not use the concept of the molecular mean free path. It is an important advantage because there are several ways to dene this quantity. The mean free path can be calculated via the viscosity or via the thermal conductivity. If we assume a model of the molecular interaction we may calculate the mean free path via the parameters of this model. So, due to the vagueness in the mean free path denition it is not clear how to apply numerical values of the slip and jump coecients reported in some papers. That is why, it is better to avoid the use of the concept of mean free path in the slip and jump boundary conditions. Rough estimations of the coecients P , T , and T can be found in the book by Kennard [4], who following Maxwell assumed that the incident molecules on a surface have the same distribution function as those in the midst of the gas. In other words, the distribution function of gaseous particles does not vary in the Knudsen layer. Moreover, it was assumed that only an part of the incident molecules is reected diusely, while the rest part, i.e. (1 ), is reected specularly. This is the so-called diuse-specular gas-surface interaction. Under these assumptions the following expressions were obtained [4] 2 , (3) P = 2 T = 0.75, (4)

T =

2 , ( + 1) Pr

Pr =

cp ,

(5)

Substituting Eq.(6) into the non-linear Boltzmann equation we obtain the linearized one vx h + S (x, v), = Lh x (11)

is the collision operator and S (x, v) is the where Lh free term, which is calculated for each coecient P , T , and T with the help of Eqs.(8), (9) and (10), respectively. The complicated expression of the operator is omitted hear, but it can be found in many books Lh and papers, see e.g., Eq.(2.55) of Ref.[5]. This operator depends on the intermolecular potential. Since a numerical solving of the kinetic equation (11) with the Boltzmann collision operator requires great computational eorts some models, i.e. simplied equations are used. The more widely used model is the BGK equation [6]. However, it has a shortcoming, namely, it does not provide the correct value of the Prandtl number. In other words, it cannot describe correctly both momentum and heat transfer simultaneously. For every specic problem one has to choose an appropriate expression of the collision frequency of this model. The less used S model equation [7] gives the correct Prandtl number and, hence, it provides more 2. Methods of calculation reliable results than the BGK model. Every coecient P , T , and T is calculated indeAt the surface (x = 0) the perturbation function pendently on each other. First, the kinetic equation is of reected particles is related to that of the incident linearized representing the distribution function as particles in accordance with the gas-surface interaction law. In many practical applications the diuse scatterM f (r, v) = f (r, v) [1 + h(r, v)] , |h| 1, (6) ing, i.e. perfect accommodation, can be used successfully. For light gases, e.g. helium, and atomically clear where h is the perturbation function, r is the position surfaces the gas-surface interaction law can be dierent M is the local vector, v is the molecular velocity, and f from the diuse one [8]. In this case the Maxwellian, Maxwellian i.e. diuse-specular, interaction law is applied. 3/ 2 However, the Maxwellian gas-surface interaction m M f (r, v) = n (r) model contains just one parameter without a clear 2kT (r) physical meaning. It varies from zero (specular reection) to unity (diuse scattering). If one tries to calcu2 m (v u (r)) (7) late dierent kinds of the accommodation coecients exp 2kT (r) using the Maxwellian model one obtains that all these corresponding the state of the gas far from the surface, coecients are equal to the parameter . However, it i.e. x . This state, on its turn, depends on the is known that the momentum and energy accommodacoecient to be calculated. To calculate the VSC it is tion coecients are dierent. As was shown in Refs. [9-12] the Cercignani-Lampis (CL) model [9] provides assumed a more physical description of the gas-surface interuy = const. (8) action. This model contains two parameters t and n = const, T = const, x n , which have the quite clear physical meanings. The rst parameter t is the tangential momentum accomThe TSC is calculated under the assumption modation, while the second one n is the energy ac ln n ln T commodation coecient corresponding to the normal = = const, uy = const. (9) molecular velocity. So, an important advantage of the y y CL model is a possibility to distinguish the momentum To obtain the TJC we assume and energy accommodation coecients. The rst coecient t varies from 0 to 2 and the second one n ln T ln n = = const, uy = 0. (10) from 0 to 1. The combination t = 0 and n = 0 x x

where is the specic heat ratio, Pr is the Prandtl number, is the thermal conductivity of the gas, and cp is the specic heat at a constant pressure. For a monoatomic gas (Pr=2/3 and = 5/3) with a perfect accommodation ( = 1) the expression (5) provides the value T = 1.662. The results (3) - (5) obtained more than one hundred years ago were an important scientic achievement of that time, which allowed to understand the slip and jump phenomena and to evaluate their order. However, since the incident molecules interact with the reected ones the distribution function of the incident molecules varies signicantly in the Knudsen layer. Such a variation must be taken into account by solving the Boltzmann kinetic equation. The aim of the present work is to analyze numerical results on the slip and jump coecients obtained via a numerical solution of the kinetic equation in the Knudsen layer, to compare these results between them and with those obtained by Maxwell and, nally, to give recommended data on the slip and jump coecients.

Table 1: Viscous slip coecient P for dierent kinetic Table 2: Experimental values [18] of the viscous slip equations and diuse scattering coecient P and the corresponding values of and Equation Refs. P t gas P t BGK [11, 12, 13] 1.016 S [14, 15] 1.018 He 1.255 0.888 0.882 BE [10] 0.9874 Ne 1.333 0.858 0.849 Eq.(3) [4] 0.8862 Ar 1.180 0.921 0.916 Kr 1.024 0.996 0.997 Xe 0.993 1.000 1.014 corresponds to the specular reection and the combiH2 1.108 0.954 0.952 nation t = 1 and n = 1 refers to the the diuse N2 1.192 0.915 0.911 scattering. Moreover, since the coecient t can be CO2 1.030 0.993 0.993 lager than unity, the CL boundary condition allows us to consider the back scattering, which can take place Table 3: Viscous slip coecient P vs accommodation for rough surfaces. Below, results obtained for the dierent kinetic equa- coecients t and n , Ref.[14, 19] P tions and for the dierent gas-surface interaction laws t n = 0.25 0.5 0.75 1 will be reported and compared. 0.25 6.418 6.387 6.361 6.336 0.5 2.845 2.825 2.807 2.791 3. Viscous slip coecient 1 1.018 1.018 1.018 1.018 The detailed technique of calculation of the coe1.5 0.3770 0.3943 0.4111 0.4275 cient P can be found in many papers, see e.g. Refs 1.75 0.1840 0.2094 0.2342 0.2586 [10,11,14-18] The main results of these works corre2. 0.0340 0.0669 0.0995 0.1320 sponding to the diuse scattering are presented in Table 1. Note, in Ref.[10] the BE equation was solved for the hard sphere molecular model. From Table 1 we Maxwell. Using Eq.(13) the parameter was calcuconclude that all kinetic equations provide the value of lated from the experimental data of Ref.[18] for some P very close to unity, while the estimative results, i.e. gases. The experimental data and the corresponding Eq.(3), gives the understated value. values of are presented in Table 2. Loyalka and Ferziger[16] and Cercignani et al.[17] In the papers [14, 19] the S model was solved with calculated the coecient P using other kinetic models. the CL boundary condition. Some results of these paThey found that the slip coecient varies in the range pers are given in Table 3. It can be seen that the VSC weakly depends on the energy accommodation coe0.9624 P 1.0185, (12) cient n . If we assume n = 1, then the dependence of the VSC on the momentum accommodation coecient i.e. it is only slightly model dependent. t can be given as So, in practical calculations it can be assumed the 1 VSC to be equal to unity if the gas-surface interaction [(2 t )P (1) 2(1 t )P (2)] , (14) P (t ) = t is diuse. The experimental data [18] for same gases and glass surface show that the heavy gases, e.g., kryp- Using this formula the momentum accommodation coton, xenon, and carbonic acid gas, the VSC is equal ecient was calculated for some gases from the ext to unity within the experimental uncertainty. How- perimental data [18]. The values of are shown in t ever, for light gases, e.g. helium and neon, the VSC is Table 2. higher than unity. This fact means that the light gases As was expected, if the VSC is close to its value interact non-diusely with a surface. corresponding to the perfect accommodation the dierSeveral papers, see e.g. [20, 21], reported a numer- ence between and is very small because the second t ical solution of the kinetic equation with the diuse- terms in both Eqs.(13) and (14) are small, while the specular gas-surface interaction. In accordance to the rst terms are the same. However, when the deviation paper [20] the dependence of the VSC on the parameter from the perfect accommodation is signicant, e.g., in can be expressed as case of atomically clean surfaces [8], the dierence between and t becomes larger. Since the CL boundary condition describes more physically the gas-surface interaction then Eq.(14) proThe data of the work [22] are close to those of Ref.[20]. vides more reliable relation of the VSC to the momenNote, the formula (13) diers from Eq.(3) obtained by tum accommodation coecient t , which can be easily P () = 2 [P (1) 0.1211(1 )] . (13)

Table 4: Thermal slip coecient T for dierent kinetic equations, diuse scattering Equation Refs. T BGK [12, 13, 23, 24, 25] 1.149 S [14, 15] 1.175 BE [10] 1.018 Eq.(4) [4] 0.75

Table 5: Thermal slip coecient T vs T Ref.[14] Ref.[12] Ref.[21] 0.0 0.7500 0.7755 0.2 0.8450 0.8344 0.8286 0.4 0.9345 0.9165 0.8789 0.6 1.0190 0.9963 0.9266 0.8 1.0990 1.0739 0.9720 1.0 1.1747 1.1495 1.0152

measured via the mass ow rate in the free molecular regime. Till now the lowest value of the accommodation coecient t = 0.71 was reported in Ref.[8]. Thus, Table 6: Thermal slip coecient T vs accommodation in accordance to Eq.(14) the highest value of the VSC coecients t and n , Refs.[14, 15] coecient is about 1.8 . T t n = 0.25 0.5 0.75 1 0.25 0.9536 1.026 1.097 1.167 4. Thermal slip coecient 0.5 1.034 1.081 1.127 1.172 As was noted above, the BGK model has the Prandtl 1 1.175 1.175 1.175 1.175 number equal to unity rather than the correct value 1.5 1.305 1.264 1.221 1.177 2/3. Thus, to compute the TSC we must be careful in 2. 1.430 1.354 1.274 1.190 the choice of the collision frequency of the model. The appropriate choice is that, which leads to the correct heat conductivity coecient. Thus, all results based on the BGK model presented below will imply this choice of the frequency, even if an original work uses the frequency providing the correct viscosity coecient. The detailed technique of calculation of T and numerical data can be found in the papers [14, 15, 12, 13, 10, 23, 24, 25]. The main results on the TSC corresponding to the diuse scattering are presented in Table 4. Note, in Refs.[10] the BE equation was solved for the hard sphere molecular model. From Table 4 we conclude that all kinetic equations provide the value of P about unity, while Eq.(4) gives the understated value. The TSC is sensitive to the kinetic equation. In the paper [26] it was showed that the TSC is also sensitive to the intermolecular potential. The TSC variation reaches 15% due to the intermolecular force law. The more reliable results can be obtained from the exact BE with a realistic intermolecular potential, e.g. Lennard-Jones model. The papers [14, 12, 21, 24, 25] reported numerical values of the TSC based on the diuse-specular law. The results of these paper are resumed in Table 5, where the data of works [14, 12, 21] are obtained from the S, BGK, and BE, respectively. It can be seen that the TSC depends on the parameter but not so strong as the VSC. The results of the papers [14, 15] providing the TSC obtained from the S equation with the CL boundary condition are given in Table 6. Surprisely, the TSC is weakly sensitive to both momentum t and energy n accommodation coecients. Resuming, the TSC is more sensitive to the intermolecular interaction law than to the gas-surface interaction one. Thus, the recommended value of the TSC is unity with the uncertainty of 15%. To obtain more precise value the exact BE with a realistic intermolecular potential should be solved. 5. Temperature jump coecient The details of calculation of the TJC can be found in Refs. [11,29-33] The results of these papers are resumed in Table 7. Note, if one uses the BGK model with the collision frequency providing the correct expression of the heat conductivity one obtains exactly the same result as the S model gives. The work [27] showed that the TJC is weakly dependent on the model kinetic equation. The work [29] provides the TJC obtained from the BGK model with the diuse-specular reection. These data show that the TJC is strongly sensitive to the gassurface interaction. The results of the paper [19] based on the S model and the CL boundary condition are given in Table 8, from which we conclude that the TJC strongly depends on both accommodation coecients t and n . So, if the gas-surface is diuse, that occurs for usual technical surfaces and heavy gases, the TJC is very close to the value 1.9 . However, if a surface is chemi-

Table 7: Temperature jump coecient T for dierent kinetic equations, diuse scattering Equation Refs. T BGK [29-32] 1.9541 S [19] 1.9541 BE [28] 1.8892 Eq.(5) [4] 1.662

Table 8: Temperature jump coecient T dation coecients t and n , Ref.[19] T t n = 0.25 0.5 0.75 0. 24.82 11.45 6.965 0.25 8.684 5.763 4.087 0.5 5.828 4.170 3.088 0.75 4.833 3.549 2.670 1 4.567 3.376 2.551

Table 9: Slip and jump coecients for Ne - Ar mixture vs concentration C , Refs.[38-41] C P T C T 1 0.0 1.018 1.175 0.000 1.954 4.722 0.01 1.019 1.175 0.006 1.956 3.009 0.1 1.025 1.179 0.062 1.970 2.335 0.25 1.033 1.184 0.152 2.040 0.5 1.040 1.186 0.291 1.991 1.954 0.75 1.036 1.183 0.416 0.9 1.027 1.178 0.486 1.965 0.99 1.019 1.175 0.526 1.955 cally treated then the interaction of the light gases with 1.0 1.018 1.175 0.530 1.954 it diers from the perfect accommodation. As a results the TJC can increase signicantly. Experimental data on heat transfer in the free molecular regime would be Table 10: Slip and jump coecients for He - Xe mixture useful to determine the accommodation coecients t vs concentration C , Refs.[38-41] and n and then to calculate the TJC. C P T C T 0.0 1.018 1.175 0.000 1.954 0.01 1.022 1.181 0.024 1.990 6. Mixtures 0.1 1.059 1.243 0.253 2.203 The slip and jump coecients for gaseous mixtures 0.25 1.127 1.345 0.690 are dened by the same way as those for a single gas, 0.5 1.259 1.503 1.646 2.515 i.e. by Eqs.(1) and (2), where the quantities , P and 0.75 1.401 1.592 3.281 refer to a mixture as whole. The most probable velocity 0.9 1.412 1.523 5.612 2.458 vm is calculated via the mean molecular mass dened 0.99 1.119 1.252 10.21 2.085 as 1.0 1.018 1.175 11.36 1.954 n1 , (15) m = Cm1 + (1 C )m2 , C = n1 + n2 takes place if the molecular mass ratio m2 /m1 is large, say about 10; (ii) All coecients, except the VSC, are sensitive to the intermolecular interaction law. For instance, the hard sphere model gives a quantitatively dierent dependence of the TSC on the molar concentration than the Lennard-Jones potential; (iii) The coecients are sensitive to the kinetic equation. It ij hj , is very important to use a model equation for L which provides correct expressions of all transport coecients, i.e. viscosity, thermal conductivity, diusion and thermal diusion. One of these models is that proposed by McCormack [30]. Some results obtained from this model for a mixture of neon (Ne) with argon (Ar) and for a mixture of helium (He) with xenon (Xenon) are presented in Tables 9 and 10, respectively. Note, the mixture Ne-Ar has the mass ratio m2 /m1 = 1.979, while the mass ratio m2 /m1 of the mixture He-Ar is 32.80. From Table 9 it can be seen that for the mixture with the small mass ratio the deviations of the VSC, TSC and TJC from those for a single gas is about 3%, while Table 10 shows that for the mixture with the high mass ratio the deviation can be about 40%. The DSC is a monotonic function of the molar concentration C and reaches its maximum value for a given mixture at C = 1. The value of C at C = 1 must be considered as a limit value because the concentration

vs accommo-

where C is the molar concentration, mi and ni (i = 1, 2) are the molecular mass and number density, respectively, of species i. Moreover, a new phenomenon arises in a mixture due to a concentration gradient, namely, the diusion velocity slip. So, in case of mixture Eq.(1) must be supplemented by the following additional term ln C , (16) uy = C y where C is the diusion slip coecients (DSC). To calculate the slip and jump coecients for a mixture we consider the perturbation functions hi for each species, which satisfy the coupled kinetic equations vxi hi = x
2

ij hj + Si (x, vi ), L
j =1

i = 1, 2.

(17)

ij hj is the linearized collision operator between Here, L species i and j . Though in practice one deals with mixtures more often than with a single gas, there are very few works, see e.g. Refs. [35-42] providing the slip and jump coecients for gaseous mixtures, which dier from those for a single gas. The following conclusions can be made from these papers: (i) A signicant deviation of all coecients for a mixture from those for a single gas

C = 1 means that the rst component of the mixture is single and the diusion slip phenomenon does not exist.

[6] P. L. Bhatnagar, E. P. Gross, and M. A. Krook, A model for collision processes in gases, Phys. Rev. 94, 511525 (1954).

[7] E. M. Shakhov, Generalization of the Krook 7. Concluding remarks kinetic equation, Fluid Dynamics 3, 142145 Note, the total number of the papers devoted to this (1968). topic is huge and it is impossible to mention here all these papers due to the length limit of this work. So, [8] O. V. Sazhin, S. F. Borisov, and F. Sharipov, Accommodation coecient of tangential momentum a critical review just of main theoretical data on the on atomically clean and contaminated surfaces, velocity slip and temperature jump was made, which J. Vac. Sci. Technol. A 19, 24992503 (2001), ershowed that the widely used expressions obtained apratum: 20 (3), 957 (2002). proximately, i.e. Eqs(3) - (5), provide the understated values of these coecients. At the same time, the use [9] C. Cercignani and M. Lampis, Kinetic model for of the rigorously obtained coecients is so easy as the gas-surface interaction, Transp. Theory and Stat. use of the approximate ones. Phys. 1, 101114 (1971). If the gas-surface interaction is diuse the following values are recommended for practical calculations: [10] T. Ohwada, Y. Sone, and K. Aoki, Numerical P = 1, T = 1, T = 1.9. If the gas-surface is not difanalysis of the shear and thermal creep ows of fuse the viscous velocity slip P and temperature jump a rareed gas over a plane wall on the basis of T coecients can increase signicantly, while the therthe linearized Boltzmann equation for hard-sphere mal slip coecient T slightly decreases. molecules, Phys. Fluids A 1, 15881599 (1989). In case of gaseous mixtures the slip and jump coefcients dier signicantly from those for a single gas [11] S. Albertoni, C. Cercignani, and L. Gotusso, Nuif the molecular mass ratio of gaseous species is large, merical evaluation of the slip coecient, Phys. i.e. about 10. Moreover, the diusion slip coecient Fluids 6, 993996 (1963). appears. [12] S. K. Loyalka, N. Petrellis, and T. S. Storvik, Some numerical results for the BGK Acknowledgments model:thermal creep and viscous slip problems The author thanks D. Valougeorgis and L.B. with arbitrary accommodation at the surface, Barichello for helpful suggestions regarding this work. Phys.Fluids 18, 10941099 (1975). The research of the author is supported by Conselho Nacional de Desenvolvimento Cient co e Tecnol ogico [13] L. B. Barichello, M. Camargo, P. Rodrigues, and (CNPq, Brazil). C. E. Siewert, Unied solution to classical ow problem based on the BGK model, Z. Angew. Math. Phys. (ZAMP) 52, 517534 (2001).

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