- Open Access
Slip-flow theory for thermo-osmosis based on a kinetic model with near-wall potential
Phys. Rev. Fluids 10, 114202 – Published 12 November, 2025
DOI: https://doi.org/10.1103/zpzj-ngrh
Abstract
In this paper, thermal-slip coefficients in slip boundary conditions of the Stokes equation are derived using the generalized slip-flow theory, with special interest in the role of near-wall potential in micro- and nanoscale flows. As the model of fluids and fluid-solid interaction, we employ the model Boltzmann equation for dilute gases and the diffuse-reflection boundaries with near-wall potential, respectively. It is found that, when the mean free path of gas molecules and the effective range of potential are of the same order of magnitude, the thermal-slip boundary condition can be derived in the near-continuum limit. In the derived slip-flow theory, the thermal-slip coefficient and the boundary-layer corrections (i.e., Knudsen-layer corrections) are determined by solving the kinetic boundary-layer problems (i.e., Knudsen-layer problems) that include external- force terms and inhomogeneous terms both driven by the potential. As an application of the slip-flow theory, thermo-osmosis between two parallel plates with uniform temperature gradients is analyzed. The results of the slip-flow theory are validated by comparing them with those of the direct numerical analysis of the same problem. Furthermore, it is found that thermo-osmosis and thermal slip on the plates are significantly affected by the features of the near-wall potential; even the gas-flow direction can be reversed when the near-wall potential is repulsive. Such a flow reversal is qualitatively similar to thermo-osmosis in liquids reported in existing molecular dynamics simulation.
Physics Subject Headings (PhySH)
Article Text
Supplemental Material
References (70)
- B. V. Derjaguin, N. V. Churaev, and M. M. Muller, Surface Forces (Springer, Berlin, 1987).
- A. P. Bregulla, A. Würger, K. Günther, M. Mertig, and F. Cichos, Thermo-osmotic flow in thin films, Phys. Rev. Lett. 116, 188303 (2016).
- M. Dietzel and S. Hardt, Flow and streaming potential of an electrolyte in a channel with an axial temperature gradient, J. Fluid Mech. 813, 1060 (2017).
- X. Wang, T. Su, W. Zhang, Z. Zhang, and S. Zhang, Knudsen pumps: A review, Microsyst. Nanoeng. 6, 26 (2020).
- S. An, N. K. Gupta, and Y. B. Gianchandani, A Si-micromachined 162-stage two-part Knudsen pump for on-chip vacuum, J. Microelectromech. Syst. 23, 406 (2014).
- M. Fränzl and F. Cichos, Hydrodynamic manipulation of nano-objects by optically induced thermo-osmotic flows, Nat. Commun. 13, 656 (2022).
- R. Ganti, Y. Liu, and D. Frenkel, Molecular simulation of thermo-osmotic slip, Phys. Rev. Lett. 119, 038002 (2017).
- P. Anzini, G. M. Colombo, Z. Filiberti, and A. Parola, Thermal forces from a microscopic perspective, Phys. Rev. Lett. 123, 028002 (2019).
- T. Tsuji, S. Mei, and S. Taguchi, Thermo-osmotic slip flows around a thermophoretic microparticle characterized by optical trapping of tracers, Phys. Rev. Appl. 20, 054061 (2023).
- Y. Sone, A simple demonstration of a rarefied gas flow induced over a plane wall with a temperature gradient, Phys. Fluids 3, 997 (1991).
- C. Cercignani, Rarefied Gas Dynamics: From Basic Concepts to Actual Calculations (Cambridge University Press, Cambridge, UK, 2000).
- Y. Sone, Molecular Gas Dynamics: Theory, Techniques, and Applications (Birkhäuser, Boston, 2007).
- S. Takata and M. Hattori, Asymptotic theory for the time-dependent behavior of a slightly rarefied gas over a smooth solid boundary, J. Stat. Phys. 147, 1182 (2012).
- T. Ohwada, Y. Sone, and K. Aoki, Numerical analysis of the Poiseuille and thermal transpiration flows between two parallel plates on the basis of the Boltzmann equation for hard-sphere molecules, Phys. Fluids 1, 2042 (1989).
- M. Rojas-Cárdenas, I. Graur, P. Perrier, and J. G. Meolans, Thermal transpiration flow: A circular cross-section microtube submitted to a temperature gradient, Phys. Fluids 23, 031702 (2011).
- H. Yamaguchi, P. Perrier, M. T. Ho, J. G. Méolans, T. Niimi, and I. Graur, Mass flow rate measurement of thermal creep flow from transitional to slip flow regime, J. Fluid Mech. 795, 690 (2016).
- P. Anzini, Z. Filiberti, and A. Parola, Fluid flow at interfaces driven by thermal gradients, Phys. Rev. E 106, 024116 (2022).
- P. Anzini, Z. Filiberti, and A. Parola, Temperature-driven flows in nanochannels: Theory and simulations, J. Chem. Phys. 162, 094501 (2025).
- I. Kinefuchi, Y. Kotsubo, K. Osuka, Y. Yoshimoto, N. Miyoshi, S. Takagi, and Y. Matsumoto, Incident energy dependence of the scattering dynamics of water molecules on silicon and graphite surfaces: The effect on tangential momentum accommodation, Microfluid. Nanofluid. 21, 15 (2017).
- L. Fu, S. Merabia, and L. Joly, What controls thermo-osmosis? Molecular simulations show the critical role of interfacial hydrodynamics, Phys. Rev. Lett. 119, 214501 (2017).
- X. Wang, M. Liu, D. Jing, A. Mohamad, and O. Prezhdo, Net unidirectional fluid transport in locally heated nanochannel by thermo-osmosis, Nano Lett. 20, 8965 (2020).
- X. Wang, M. Liu, D. Jing, and O. Prezhdo, Generating shear flows without moving parts by thermo-osmosis in heterogeneous nanochannels, J. Phys. Chem. Lett. 12, 10099 (2021).
- W. Fan, J. Li, Y. Tan, Y. Zhang, W. Liu, and Z. Liu, Refinement of the thermo-osmotic velocity calculation methodology and investigation of control strategies, Int. J. Heat Mass Transf. 235, 126153 (2024).
- K. Qi, Z. Li, J. Wang, and G. Xia, Direction reverse of the thermo-osmosis for a liquid in a nanochannel, Phys. Fluids 36, 112028 (2024).
- W. Q. Chen, M. Sedighi, and A. P. Jivkov, Thermo-osmosis in hydrophilic nanochannels: Mechanism and size effect, Nanoscale 13, 1696 (2021).
- C. Herrero, M. D. S. Féliciano, S. Merabia, and L. Joly, Fast and versatile thermo-osmotic flows with a pinch of salt, Nanoscale 14, 626 (2022).
- W. Q. Chen, A. P. Jivkov, and M. Sedighi, Thermo-osmosis in charged nanochannels: Effects of surface charge and ionic strength, ACS Appl. Mater. Interfaces 15, 34159 (2023).
- M. Ouadfel, S. Merabia, Y. Yamaguchi, and L. Joly, Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: Enhanced effects on polarized graphene surfaces, Mol. Phys. 122, e2392016 (2024).
- S. Yabunaka and Y. Fujitani, Thermo-osmosis of a near-critical binary fluid mixture: A general formulation and universal flow direction, Phys. Rev. E 109, 064610 (2024).
- P. A. Thompson and S. M. Troian, A general boundary condition for liquid flow at solid surfaces, Nature 389, 360 (1997).
- V. S. J. Craig, C. Neto, and D. R. M. Williams, Shear-dependent boundary slip in an aqueous Newtonian liquid, Phys. Rev. Lett. 87, 054504 (2001).
- J.-L. Barrat and L. Bocquet, Large slip effect at a nonwetting fluid-solid interface, Phys. Rev. Lett. 82, 4671 (1999).
- Y. Zhu and S. Granick, Rate-dependent slip of Newtonian liquid at smooth surfaces, Phys. Rev. Lett. 87, 096105 (2001).
- J. Baudry, E. Charlaix, A. Tonck, and D. Mazuyer, Experimental evidence for a large slip effect at a nonwetting fluid-solid interface, Langmuir 17, 5232 (2001).
- L. Léger, Friction mechanisms and interfacial slip at fluid solid interfaces, J. Phys.: Condens. Matter 15, S19 (2002).
- C. Cottin-Bizonne, S. Jurine, J. Baudry, J. Crassous, F. Restagno, and E. Charlaix, Nanorheology: An investigation of the boundary condition at hydrophobic and hydrophilic interfaces, Eur. Phys. J. E 9, 47 (2002).
- Y. Xie, L. Fu, T. Niehaus, and L. Joly, Liquid-solid slip on charged walls: The dramatic impact of charge distribution, Phys. Rev. Lett. 125, 014501 (2020).
- K.-T. Chen, Q.-Y. Li, T. Omori, Y. Yamaguchi, T. Ikuta, and K. Takahashi, Slip length measurement in rectangular graphene nanochannels with a 3d flow analysis, Carbon 189, 162 (2022).
- J.-L. Barrat and L. Bocquet, Influence of wetting properties on hydrodynamic boundary conditions at a fluid/solid interface, Faraday Discuss. 112, 119 (1999).
- J. S. Hansen, B. D. Todd, and P. J. Daivis, Prediction of fluid velocity slip at solid surfaces, Phys. Rev. E 84, 016313 (2011).
- N. G. Hadjiconstantinou and M. M. Swisher, On the equivalence of nonequilibrium and equilibrium measurements of slip in molecular dynamics simulations, Phys. Rev. Fluids 7, 114203 (2022).
- C. Corral-Casas, Y. Chen, M. K. Borg, and L. Gibelli, Density and confinement effects on fluid velocity slip, Phys. Rev. Fluids 9, 034201 (2024).
- S. Lichter, A. Roxin, and S. Mandre, Mechanisms for liquid slip at solid surfaces, Phys. Rev. Lett. 93, 086001 (2004).
- G. J. Wang and N. G. Hadjiconstantinou, Universal molecular-kinetic scaling relation for slip of a simple fluid at a solid boundary, Phys. Rev. Fluids 4, 064201 (2019).
- N. G. Hadjiconstantinou, An atomistic model for the Navier slip condition, J. Fluid Mech. 912, A26 (2021).
- B. Shan, P. Wang, R. Wang, Y. Zhang, and Z. Guo, Molecular kinetic modeling of nanoscale slip flow using a continuum approach, J. Fluid Mech. 939, A9 (2022).
- N. G. Hadjiconstantinou, Molecular mechanics of liquid and gas slip flow, Annu. Rev. Fluid Mech. 56, 435 (2024).
- P. L. Bhatnagar, E. P. Gross, and M. Krook, A model for collision processes in gases. I. Small amplitude processes in charged and neutral one-component systems, Phys. Rev. 94, 511 (1954).
- P. Welander, On the temperature jump in a rarefied gas, Arkiv Fysik 7, 507 (1954).
- K. Aoki, V. Giovangigli, and S. Kosuge, Boundary conditions for the Boltzmann equation from gas-surface interaction kinetic models, Phys. Rev. E 106, 035306 (2022).
- K. Aoki, V. Giovangigli, F. Golse, and S. Kosuge, The physisorbate-layer problem arising in kinetic theory of gas–surface interaction, J. Stat. Phys. 191, 53 (2024).
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/zpzj-ngrh for the derivation of the slip and jump boundary conditions (Sec. S1), estimates of the potential for small effective ranges (Sec. S2), some remarks on the numerical analyses (Sec. S3), values of thermal-slip coefficients (Sec. S4), and estimation of thermal slip coefficient from molecular simulation in gases (Sec. S5).
- T. Ohwada, Y. Sone, and K. Aoki, Numerical analysis of the shear and thermal creep flows of a rarefied gas over a plane wall on the basis of the linearized Boltzmann equation for hard-sphere molecules, Phys. Fluids 1, 1588 (1989).
- L. H. Holway, New statistical models for kinetic theory: Methods of construction, Phys. Fluids 9, 1658 (1966).
- E. M. Shakhov, Generalization of the krook kinetic relaxation equation, Fluid Dyn. 3, 95 (1972).
- J. N. Israelachvili, Intermolecular and Surface Forces, 3rd ed. (Elsevier, Amsterdam, 2011).
- Y. Sone and S. Takata, Discontinuity of the velocity distribution function in a rarefied gas around a convex body and the S layer at the bottom of the Knudsen layer, Transp. Theory Stat. Phys. 21, 501 (1992).
- H. Sugimoto and Y. Sone, Numerical analysis of steady flows of a gas evaporating from its cylindrical condensed phase on the basis of kinetic theory, Phys. Fluids 4, 419 (1992).
- T. Tsuji and K. Aoki, Moving boundary problems for a rarefied gas: Spatially one-dimensional case, J. Comput. Phys. 250, 574 (2013).
- H. Niimi, Thermal creep flow of rarefied gas between two parallel plates, J. Phys. Soc. Jpn. 30, 572 (1971).
- S. Takata and S. Taguchi, Gradient divergence of fluid-dynamic quantities in rarefied gases on smooth boundaries, J. Stat. Phys. 168, 1319 (2017).
- H. Yamaguchi and G. Kikugawa, Molecular dynamics study on flow structure inside a thermal transpiration flow field, Phys. Fluids 33, 012005 (2021).
- M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
- S. Takata, T. Matsumoto, and M. Hattori, Kinetic model for the phase transition of the van der Waals fluid, Phys. Rev. E 103, 062110 (2021).
- S. Taguchi and T. Tsuji, On the motion of slightly rarefied gas induced by a discontinuous surface temperature, J. Fluid Mech. 897, A16 (2020).
- S. Takata and Y. Sone, Flow induced around a sphere with a non-uniform surface temperature in a rarefied gas, with application to the drag and thermal force problems of a spherical particle with an arbitrary thermal conductivity, Eur. J. Mech. B. Fluids 14, 487 (1995).
- A. Würger, Thermal non-equilibrium transport in colloids, Rep. Prog. Phys. 73, 126601 (2010).
- The Kyoto University Research Information Repository (KURENAI), https://doi.org/10.57723/kds596597.
- C. Bardos, R. E. Caflisch, and B. Nicolaenko, The Milne and Kramers problems for the Boltzmann equation of a hard sphere gas, Commun. Pure Appl. Math. 39, 323 (1986).
- F. Coron, F. Golse, and C. Sulem, A classification of well-posed kinetic layer problems, Commun. Pure Appl. Math. 41, 409 (1988).