Abstract
In this paper, three-dimensional Brownian dynamics simulation has been conducted for dilute micellar surfactant solution under a steady shear flow. The rodlike micelle in surfactant solution is assumed as a rigid rod made up of lined-up beads. The Lennard–Jones potential and soft-sphere potential are employed and taken as the inter-bead potentials for end–end beads and interior–interior beads, respectively. The motion of the rodlike micelles is determined by solving the translational and rotational equations for each rod under hydrodynamic drag force, Brownian force and inter-rod potential force. Velocity Verlet algorithm has also been exerted in the simulation. The micellar network structure is formed at low shear rates and destroyed by high shear rates. The computed shear viscosities and the first normal stress coefficient represent shear thinning characteristics. The paper reveals the relation between rheology and microstructure of surfactant solution at different shear rates. The effect of surfactant solution concentration rested on the micellar structures and rheological properties has also been investigated.
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References
Mysels, K.J.: Flow of Thickened Fluids. U.S. Patent 2,492,173 (1949)
White, A.: Flow characteristics of complex soap systems. Nature 214, 585–586 (1967)
Gyr, A., Bewersdorff, H.W.: Drag Reduction of Turbulent Flows by Additives. Kluwer, Dordrecht (1967)
Lu, B., Li, X., Zakin, J.L., Talmon, Y.: A non-viscoelastic drag-reducing cationic surfactant system. J. Non-Newton. Fluid Mech. 71, 59–72 (1997)
Debye, P., Anacker, E.W.: Micelle shape from dissymmetry measurements. J. Phys. Colloid Chem. 55, 644–655 (1951)
Porte, G., Appell, J., Poggi, Y.: Experimental investigations on the flexibility of elongated cetylpyridinium bromide micelles. J. Phys. Chem. 84, 3105–3110 (1980)
Young, C.Y., Missel, P.J., Mazer, N.A., Benedec, G.B., Carey, M.C.: Deduction of micellar shape from angular dissymmetry measurements of light scattered from aqueous sodium dodecyl sulfate solutions at high sodium chloride concentrations. J. Phys. Chem. 82, 1375–1378 (1978)
Ikeda, S., Hayashi, S., Imae, T.: Rodlike micelles of sodium dodecyl sulfate in concentrated sodium halide solutions. J. Phys. Chem. 85, 106–112 (1981)
Linder, P., Bewersdoff, H.W., Heen, R., Sittart, P., Thiel, H., Langowski, J., Oberthur, R.: Drag-reducing surfactant solutions in laminar and turbulent flow investigated by small-angle neutron scattering and light scattering. Prog. Colloid Polym. Sci. 81, 107–112 (1990)
Olsson, U., Soderman, O., Guering, P.: Characterization of micellar aggregates in viscoelastic surfactant solutions: A nuclear magnetic resonance and light scattering study. J. Phys. Chem. 90, 5223–5232 (1986)
Clausen, T.M., Vinson, P.K., Minter, J.R., Davis, H.T., Talmon, Y., Miller, W.G.: Viscoelastic micellar solutions: Microscopy and rheology. J. Phys. Chem. 96, 474–484 (1992)
Stachel, J. (ed.): Einstein’s Miraculous Year: Five Papers that Changed the Face of Physics. Princeton University Press, Princeton (1998)
Von Kampen, N.G.: Stochastic Processes in Physics and Chemistry, 3rd edn. North-Holland, Amsterdam (2007)
Lowen, H.: Brownian dynamics of hard spherocylinders. Phys. Rev. E 50, 1232–1242 (1994)
Branka, A.C., Heyes, D.M.: Dispersions of rodlike particles in shear flow by Brownian dynamics simulation. J. Chem. Phys. 109, 312–317 (1998)
Mori, N., Kumagae, M., Nakamura, K.: Brownian dynamics simulation for suspensions of oblong-particles under shear flow. Rheol. Acta 37, 151–157 (1998)
Mori, N., Fujioka, H., Semura, R., Nakamura, K.: Brownian dynamics simulation for suspensions of ellipsoids in liquid crystalline phase under simple shear flow. Rheol. Acta 42, 102–109 (2002)
Doi, M., Yanamoto, I., Kano, F.: Monte Carlo simulation of the dynamics of thin rodlike polymers in concentrated solution. J. Phys. Soc. Jpn. 53, 3000–3003 (1984)
Wei, J.J., Kawaguchi, Y., Yu, B., Li, F.C.: Brownian dynamics simulation of microstructure and elongational viscosities of micellar surfactant solution. Chin. Phys. Lett. 25, 4469–4472 (2008)
Padding, J.T., BoeK, E.S., Briels, W.J.: Dynamics and rheology of wormlike micelles emerging from particulate computer simulations. J. Chem. Phys. 129, 074903 (2008)
Liu, T.W.: Flexible polymer chain dynamics and rheological properties in steady flows. J. Chem. Phys. 90, 5826–5842 (1989)
Hida, T., Kuo, H., Potthoff, J., Streit, L.: White Noise: An Infinite Dimensional Calculus. Kluwer, Dordrecht (1993)
Bird, R.B., Curtiss, C.F., Armstrong, R.C., Hassager, O.: Dynamics of Polymeric Liquids, Kinetic Theory. Wiley, New York (1987)
Gunsteren, W.F.V., Berendsen, H.J.C.: Algorithms for Brownian dynamics. Mol. Phys. 45, 637–647 (1982)
Allen, M.P., Tildsley, D.J.: Computer Simulation of Liquids. Oxford Science, Oxford (1987)
Lu, B.: Characterization of Drag-Reducing Surfactant Systems by Rheology and Flow Birefringence Measurements. Ph.D. Dissertation, The Ohio State University (1997)
Kubo, R., Toda, M., Hashitsume, N.: Statistical Physics II: Non-Equilibrium Statistical Mechanics. Springer, Berlin (1995)
Hounkonnou, M.N., Pierieoni, C., Ryckaert, J.P.: Liquid chlorine in shear and elongational flows: A nonequilibrium molecular dynamics study. J. Phys. Chem. 97, 9335–9344 (1992)
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Wei, J., Kawaguchi, Y., Yu, B. et al. Microstructures and rheology of micellar surfactant solution by Brownian dynamics simulation. Nonlinear Dyn 61, 503–515 (2010). https://doi.org/10.1007/s11071-010-9667-9
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DOI: https://doi.org/10.1007/s11071-010-9667-9