Effect of copper nanoparticles on thermal behavior of two-phase argon-copper nanofluid flow in rough nanochannels with focusing on the interface properties and heat transfer using molecular dynamics simulation

doi:10.1016/j.cjche.2021.03.044

Abstract

Abstract: A comparison between the efficacy of surface boundary structure and presence of nanoparticles on the condensation two-phase flow inside rough nanochannels has been accomplished by applying molecular dynamics procedure to evaluate the thermal conductivity and flow characteristics. Simulation is performed in a computational region with two copper walls containing rectangular rough elements under different saturated temperatures. The main properties of liquid-vapor interface including density and the number of liquid atoms, are obtained. It is observed that the density profile is more affected by nanoparticles than the roughness. Also, compared to the condensation of nanofluid in a smooth nanochannel, the rough wall causes a greater drop in the temperature at the early time steps and by development of liquid films, effects of the wall roughness reduce. At the first of the condensation process, adding nanoparticle causes that transferring argon particles to the liquid phase increases with a steeper slope. Furthermore, heat current autocorrelation function (HCACF) for nanofluid condensation flow over considered correlation time is analyzed and following that the thermal conductivity for different saturated conditions is calculated. It has been represented that at lower temperatures the roughness makes more significant influence on the heat transfer of two-phase flow, while at higher temperatures the importance of nanoparticles prevails.

Key words: Two-phase flow, Nanofluid, Roughness element, Thermal conductivity

摘要： A comparison between the efficacy of surface boundary structure and presence of nanoparticles on the condensation two-phase flow inside rough nanochannels has been accomplished by applying molecular dynamics procedure to evaluate the thermal conductivity and flow characteristics. Simulation is performed in a computational region with two copper walls containing rectangular rough elements under different saturated temperatures. The main properties of liquid-vapor interface including density and the number of liquid atoms, are obtained. It is observed that the density profile is more affected by nanoparticles than the roughness. Also, compared to the condensation of nanofluid in a smooth nanochannel, the rough wall causes a greater drop in the temperature at the early time steps and by development of liquid films, effects of the wall roughness reduce. At the first of the condensation process, adding nanoparticle causes that transferring argon particles to the liquid phase increases with a steeper slope. Furthermore, heat current autocorrelation function (HCACF) for nanofluid condensation flow over considered correlation time is analyzed and following that the thermal conductivity for different saturated conditions is calculated. It has been represented that at lower temperatures the roughness makes more significant influence on the heat transfer of two-phase flow, while at higher temperatures the importance of nanoparticles prevails.

关键词: Two-phase flow, Nanofluid, Roughness element, Thermal conductivity

Shabnam Ghahremanian, Abbas Abbassi, Zohreh Mansoori, Davood Toghraie. Effect of copper nanoparticles on thermal behavior of two-phase argon-copper nanofluid flow in rough nanochannels with focusing on the interface properties and heat transfer using molecular dynamics simulation[J]. Chinese Journal of Chemical Engineering, 2022, 42(2): 344-350.

References

[1] R. Pit, H. Hervet, L. Leger, Direct experimental evidence of slip in hexadecane:Solid interfaces, Phys Rev Lett 85 (5) (2000) 980-983
[2] Y. Zhu, S. Granick, Rate-dependent slip of Newtonian liquid at smooth surfaces, Phys Rev Lett 87 (9) (2001) 096105
[3] V.S. Craig, C. Neto, D.R. Williams, Shear-dependent boundary slip in an aqueous Newtonian liquid, Phys Rev Lett 87 (5) (2001) 054504
[4] D.C. Tretheway, C.D. Meinhart, Apparent fluid slip at hydrophobic microchannel walls, Phys. Fluids 14 (3) (2002) L9-L12
[5] E. Bonaccurso, M. Kappl, H.J. Butt, Hydrodynamic force measurements:Boundary slip of water on hydrophilic surfaces and electrokinetic effects, Phys Rev Lett 88 (7) (2002) 076103
[6] C. Cottin-Bizonne, J.L. Barrat, L. Bocquet, E. Charlaix, Low-friction flows of liquid at nanopatterned interfaces, Nat Mater 2 (4) (2003) 237-240
[7] C.H. Choi, K.J.A. Westin, K.S. Breuer, Apparent slip flows in hydrophilic and hydrophobic microchannels, Phys. Fluids 15 (10) (2003) 2897
[8] J. Ou, B. Perot, J.P. Rothstein, Laminar drag reduction in microchannels using ultrahydrophobic surfaces, Phys. Fluids 16 (12) (2004) 4635-4643
[9] Y. Orooji, M. Haddad Irani-nezhad, R. Hassandoost, A. Khataee, S. Rahim Pouran, S.W. Joo, Cerium doped magnetite nanoparticles for highly sensitive detection of metronidazole via chemiluminescence assay, Spectrochimica Acta Part A:Mol. Biomol. Spectrosc. 234 (2020) 118272
[10] R. Hassandoost, S.R. Pouran, A. Khataee, Y. Orooji, S.W. Joo, Hierarchically structured ternary heterojunctions based on Ce³⁺/Ce⁴⁺ modified Fe₃O₄ nanoparticles anchored onto graphene oxide sheets as magnetic visible-light-active photocatalysts for decontamination of oxytetracycline, J. Hazard. Mater. 376 (2019) 200-211
[11] H. Karimi-Maleh, B.G. Kumar, S. Rajendran, J.Q. Qin, S. Vadivel, D. Durgalakshmi, F. Gracia, M. Soto-Moscoso, Y. Orooji, F. Karimi, Tuning of metal oxides photocatalytic performance using Ag nanoparticles integration, J. Mol. Liq. 314 (2020) 113588
[12] H. Karimi-Maleh, F. Karimi, Y. Orooji, G. Mansouri, A. Razmjou, A. Aygun, F. Sen, A new nickel-based co-crystal complex electrocatalyst amplified by NiO dope Pt nanostructure hybrid; a highly sensitive approach for determination of cysteamine in the presence of serotonin, Sci Rep 10 (1) (2020) 11699
[13] H. Karimi-Maleh, S. Ranjbari, B. Tanhaei, A. Ayati, Y. Orooji, M. Alizadeh, F. Karimi, S. Salmanpour, J. Rouhi, M. Sillanpää, F. Sen, Novel 1-butyl-3-methylimidazolium bromide impregnated chitosan hydrogel beads nanostructure as an efficient nanobio-adsorbent for cationic dye removal:Kinetic study, Environ Res 195 (2021) 110809
[14] M. Frank, D. Drikakis, N. Asproulis, Thermal conductivity of nanofluid in nanochannels, Microfluid. Nanofluidics 19 (5) (2015) 1011-1017
[15] H. Aminfar, N. Razmara, M. Mohammadpourfard, On flow characteristics of liquid-solid mixed-phase nanofluid inside nanochannels, Appl. Math. Mech. 35 (12) (2014) 1541-1554
[16] C.Z. Sun, W.Q. Lu, J. Liu, B.F. Bai, Molecular dynamics simulation of nanofluid's effective thermal conductivity in high-shear-rate Couette flow, Int. J. Heat Mass Transf. 54 (11-12) (2011) 2560-2567
[17] Honarkhah. R., Bakhshana. Y., Rahmati. M., Khorshidi. J., Investigation into the Effects of Nanoparticle Size and Channel Depth on the Thermo-Physical Properties of Water Nanofluids in the Nanochannel Using Molecular Dynamics Simulation, Environmental Energy and Economic Research. 2 (2018) 21-36
[18] W.Z. Cui, Z.J. Shen, J.G. Yang, S.H. Wu, Molecular dynamics simulation on flow behaviors of nanofluids confined in nanochannel, Case Stud. Therm. Eng. 5 (2015) 114-121
[19] H.B. Kang, Y.W. Zhang, M. Yang, Molecular dynamics simulation of thermal conductivity of Cu-Ar nanofluid using EAM potential for Cu-Cu interactions, Appl. Phys. A 103 (4) (2011) 1001-1008
[20] R. Kamali, A. Kharazmi, Molecular dynamics simulation of surface roughness effects on nanoscale flows, Int. J. Therm. Sci. 50 (3) (2011) 226-232
[21] M. Tohidi, D. Toghraie, The effect of geometrical parameters, roughness and the number of nanoparticles on the self-diffusion coefficient in Couette flow in a nanochannel by using of molecular dynamics simulation, Phys. B:Condens. Matter 518 (2017) 20-32
[22] H. Rahmatipour, A.R. Azimian, O. Atlaschian, Study of fluid flow behavior in smooth and rough nanochannels through oscillatory wall by molecular dynamics simulation, Phys. A:Stat. Mech. Appl. 465 (2017) 159-174
[23] P. Alipour, D. Toghraie, A. Karimipour, M. Hajian, Modeling different structures in perturbed Poiseuille flow in a nanochannel by using of molecular dynamics simulation:Study the equilibrium, Phys. A:Stat. Mech. Appl. 515 (2019) 13-30
[24] N. Asproulis, D. Drikakis, Surface roughness effects in micro and nanofluidic devices, J. Comput. Theor. Nanosci. 7 (9) (2010) 1825-1830
[25] D. Toghraie, M. Hekmatifar, Y. Salehipour, M. Afrand, Molecular dynamics simulation of Couette and Poiseuille Water-Copper nanofluid flows in rough and smooth nanochannels with different roughness configurations, Chem. Phys. 527 (2019) 110505
[26] W. Gao, X. Zhang, X.T. Han, C.Q. Shen, Role of solid wall properties in the interface slip of liquid in nanochannels, Micromachines (Basel) 9 (12) (2018) E663
[27] Kim D, Darve E, Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels, Phys Rev E Stat Nonlin Soft Matter Phys 73 (5 pt 1) (2006) 051203
[28] M.M. Rashidi, S. Ghahremanian, D. Toghraie, P. Roy, Effect of solid surface structure on the condensation flow of Argon in rough nanochannels with different roughness geometries using molecular dynamics simulation, Int. Commun. Heat Mass Transf. 117 (2020) 104741
[29] S.K. Kuri, S.M. Rakibuzzaman, A. Sabah, J. Ahmed, M.N. Hasan, Effect of nanostructured surface configuration on evaporation and condensation characteristics of thin film liquid argon in a nano-scale confinement, In:AIP Conference Proceeding 1919 (2017) 020049.
[30] S. Ghahremanian, A. Abbassi, Z. Mansoori, D. Toghraie, Investigation the nanofluid flow through a nanochannel to study the effect of nanoparticles on the condensation phenomena, J. Mol. Liq. 311 (2020) 113310
[31] L. Li, P.F. Ji, Y.W. Zhang, Molecular dynamics simulation of condensation on nanostructured surface in a confined space, Appl. Phys. A 122 (5) (2016) 1-15
[32] Y.L. He, J. Sun, Y.S. Li, W.Q. Tao, A molecular dynamics study on growth of condensation film on a solid surface, Prog. Comput. Fluid Dyn. Int. J. 9 (3/4/5) (2009) 262
[33] M.J. Liao, L.Q. Duan, Dependencies of surface condensation on the wettability and nanostructure size differences, Nanomaterials (Basel) 10 (9) (2020) E1831
[34] S.D. Stoddard, J. Ford, Numerical experiments on the stochastic behavior of a lennard-Jones gas system, Phys. Rev. A 8 (3) (1973) 1504-1512
[35] E.M. Yezdimer, A.A. Chialvo, P.T. Cummings, Examination of chain length effects on the solubility of alkanes in near-critical and supercritical aqueous solutions, J. Phys. Chem. B 105 (4) (2001) 841-847
[36] M.S. Daw., M.I. Baskes., Phys. Rev. B, Condens. Matter Mater. Phys.; 29, 6443, (1984)
[37] C.L. Brooks III, Computer simulation of liquids, J. Solut. Chem. 18 (1) (1989) 99