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Korean Journal of Chemical Engineering, Vol.33, No.11, 3069-3078, 2016
A review on particle dynamics simulation techniques for colloidal dispersions: Methods and applications
Colloidal dispersions have attracted much attention both from academia and industry due to industrial significance and complex dynamic properties. Accordingly, a variety of attempts have been made to understand the complicated physics of colloidal dispersions. Particle dynamics simulation has been playing an important role in exploring colloidal systems as a strong complement to experimental approaches from which it is hard to get exact microscopic information. Our aim is to provide a well-organized and up-to-date guide to particle dynamics simulation of colloidal dispersions. Among diverse particle dynamics simulation techniques, we focus on Brownian dynamics, Stokesian dynamics, multi-particle collision dynamics, and self-consistent particle simulation techniques. First, the concept of the simulation techniques will be described. Then, for each simulation technique, pros and cons are discussed with a broad range of applications, including concentrated hard sphere suspensions and biological systems. It is expected that this article helps to identify and motivate research challenges.
[References]
- Dhont JKG, An introduction to dynamics of colloids, Elsevier (2003).
- Russel WB, Saville DA, Schowalter WR, Colloidal dispersions, Cambridge University Press, Cambridge (1989).
- Mewis J, Wagner NJ, Colloidal suspension rheology, Cambridge University Press, Cambridge (2013).
- Gurnon AK, Wagner NJ, J. Fluid Mech., 769, 242, 2015
- Kim JM, Eberle APR, Gurnon AK, Porcar L, Wagner NJ, J. Rheol., 58(5), 1301, 2014
- Hoekstra H, Mewis J, Narayanan T, Vermant J, Langmuir, 21(24), 11017, 2005
- Hsiao LC, Newman RS, Glotzer SC, Solomon MJ, PNAS, 109, 16029, 2012
- Kim JM, Eberle APR, Gurnon AK, Porcar L, Wagner NJ, J. Rheol., 58(5), 1301, 2014
- Einstein A, Investigations of the theory of Brownian movement, Dover, Newyork (1956).
- Hinch EJ, Leal LG, J. Fluid Mech., 52, 683, 1972
- Batchelor GK, J. Fluid Mech., 83, 97, 1977
- Evans W, Fish J, Keblinski P, Appl. Phys. Lett., 88, 093116, 2006
- Satoh A, Introduction to Molecular-microsimulation of colloidal dispersions, Elsevier, Amsterdam (2003).
- Hansen JP, McDonald IR, Theory of simple liquids, Academic Press, London (1986).
- Allen M, Tildesley D, Computer Simulation of liquids, Oxford University Press, Oxford (1987).
- Larson RG, The structure and rheology of complex fluids, Oxford University Press, New York (1999).
- Foss DR, Brady JF, J. Rheol., 44(3), 629, 2000
- Koumakis N, Brady JF, Petekidis G, Phys. Rev. Lett., 110, 178301, 2013
- Verwey EJW, Overbeek JTG, Theory of the stability of lyophobic colloids, Dover, Newyork (1947).
- Lekkerkerker HNW, Tuinier R, Colloids and the Depletion Interaction, Springer, London (2011).
- Asakura S, Oosawa F, J. Chem. Phys., 22, 1255, 1954
- Asakura S, Oosawa F, J. Polym. Sci., 33, 183, 1958
- Verlet L, Phys. Rev., 159, 98, 1967
- Rowlinson JS, Physica A, 156, 15, 1989
- Kubo R, Rep. Prog. Phys., 29, 255, 1966
- Gardiner C, Stochastic Methods, Springer, Newyork (2009).
- Ottinger HC, Stochastic processes in polymeric fluids, Springer, New York (1996).
- Lamb H, Hydrodynamics, Cambridge University Press, Cambridge (1906).
- Happel J, Brenner H, Low Reynolds number hydrodynamics, Springer, New York (1983).
- Ermak D, J. Chem. Phys., 62, 4189, 1975
- Rotne J, Prager S, J. Chem. Phys., 50, 4831, 1969
- Fixman M, Macromolecules, 19, 1204, 1986
- Park JD, Ahn KH, Soft Matter, 9, 11650, 2013
- Park JD, Lee SJ, Ahn KH, Soft Matter, 11, 9262, 2015
- Koumakis N, Moghimi E, Besseling R, Poon WCK, Brady JF, Petekidis G, Soft Matter, 11, 4640, 2015
- Koumakis N, Laurati M, Egelhaaf SU, Brady JF, Petekidis G, Phys. Rev. Lett., 108, 098303, 2012
- Santos PHS, Campanella OH, Carignano MA, Soft Matter, 9, 709, 2013
- Santos PHS, Campanella OH, Carignano MA, J. Phys. Chem. B, 114(41), 13052, 2010
- Whittle M, Dickinson E, Mol. Phys., 90, 739, 1997
- Whittle M, Dickinson E, J. Chem. Soc.-Faraday Trans., 94, 2453, 1998
- Rzepiela AA, van Opheusden JHJ, J. Rheol., 48(4), 863, 2004
- Koumakis N, Laurati M, Jacob AR, Mutch KJ, Abdellali A, Schofield AB, Egelhaaf SU, Brady JF, Petekidis G, J. Rheol., 60, 603, 2016
- Lu PJ, Zaccarelli E, Ciulla F, Schofield AB, Sciortino F, Weitz DA, Nature, 453, 499, 2008
- Zaccarelli E, J. Phys. Condens. Matter, 19, 323101, 2007
- Lu PJ, Weitz DA, Annu. Rev. Condens. Matter. Phys., 4, 217, 2013
- Weeks ER, Weitz DA, Chem. Phys., 284, 361, 2002
- Weeks ER, Weitz DA, Phys. Rev. Lett., 89, 095704, 2012
- Bonn D, Paredes J, Denn MM, Berthier L, Divoux T, Manneville S, arXiv:1502.05281v1 (2015).
- Ilie IM, Briels WJ, den Otter WK, J. Chem. Phys., 142, 114103, 2015
- Mohammadi M, Larson ED, Liu J, Larson RG, J. Chem. Phys., 142, 024108, 2015
- Mossa S, Michele CD, Sciortino F, J. Chem. Phys., 126, 014905, 2007
- Cerbelaud M, Ferrando R, Videcoq A, J. Chem. Phys., 132, 084701, 2010
- Garcia-Perez P, Pagnoux C, Pringuet A, Videcoq A, Baumard JF, J. Colloid Interface Sci., 313(2), 527, 2007
- Xu J, Wang Y, He X, Soft Matter, 11, 7433, 2015
- Zheng X, ten Hagen B, Kaiser A, Wu M, Cui H, Silber-Li Z, Lowen H, Phys. Rev. E, 88, 032304, 2013
- Doyle PS, Ladoux B, Viovy JL, Phys. Rev. Lett., 84, 4769, 2000
- Schroeder CM, Babcock HP, Shaqfeh ESG, Chu S, Science, 301(19), 1515, 2003
- Saphiannikova MG, Pryamitsyn VA, Cosgrove T, Macromolecules, 31(19), 6662, 1998
- Larson RG, Hu H, Smith DE, Chu S, J. Rheol., 43(4), 1998
- Hur JS, Shaqfeh ESG, Larson RG, J. Rheol., 44(4), 713, 2000
- Narsimhan V, Renner CB, Doyle PS, ACS Macro. Lett., 5, 123, 2016
- Sottas P, Larquet E, Stasiak A, Dubochet J, Biophysical J., 77, 1858, 1999
- Vologodskii A, Biophys. J., 90, 1594, 2006
- Pagani G, Green MJ, Poulin P, Pasquali M, PNAS, 109, 11599, 2012
- Mendes MJ, Schmidt HK, Pasquali M, J. Phys. Chem. B, 25, 112, 2008
- Brady JF, Bossis G, Annu. Rev. Fluid Mech, 20, 111, 1988
- Bossis G, Brady JF, J. Chem. Phys., 80, 5141, 1984
- Durlofsky L, Brady JF, Bossis G, J. Fluid Mech., 180, 21, 1987
- Durlofsky L, Brady JF, Bossis G, J. Fluid Mech., 180, 21, 1987
- Phung TN, Brady JF, Bossis G, J. Fluid Mech., 313, 181, 1996
- Kim ST, Karrila SJ, Microhydrodynamics: Principles and Selected Applications, Dover, New York (1991).
- Phung TN, Brady JF, Bossis G, J. Fluid Mech., 313, 181, 1996
- Kim ST, Mifflin RT, Phys. Fluids, 28, 2033, 1985
- Jefferey DJ, Onishi Y, J. Fluid Mech., 139, 261, 1984
- Dratler DI, Schowalter WR, Hoffman RL, J. Fluid Mech., 353, 1, 1997
- Foss DR, Brady JF, J. Fluid Mech., 407(1), 167, 2000
- Catherall AA, Melrose JR, Ball RC, J. Rheol., 44(1), 1, 2000
- Wagner NJ, Brady JF, Phys. Today, 62, 27, 2009
- Cheng X, Xu X, Rice SA, Dinner AR, Cohen I, PNAS, 109, 63, 2012
- Mari R, Seto R, Morris JF, Denn MM, J. Rheol., 58(6), 1693, 2014
- Seto R, Mari R, Morris JF, Denn MM, Phys. Rev. Lett., 111, 218301, 2013
- Swan JW, Brady JF, Moore RS, Phys. Fluids, 23, 071901, 2011
- Ishikawa T, Locsei JT, Pedley TJ, Phys. Rev. E, 82, 021408, 2010
- Ando T, Skolnick J, PNAS, 107, 18457, 2010
- Kutteh R, Phys. Rev. E., 69, 011406, 2004
- Wang M, Brady JF, J. Chem. Phys., 142, 064905, 2015
- Wang M, Heinen M, Brady JF, J. Chem. Phys., 142, 09490, 2015
- Sierou A, Brady JF, J. Fluid Mech., 448, 115, 2001
- Wang M, Heinen M, Brady JF, J. Comput. Phys., 306, 443, 2016
- Gompper G, Ihle T, Kroll DM, Winkler RG, Adv. Polym. Sci., 221, 1, 2009
- Kapral R, Adv. Chem. Phys., 140, 89, 2008
- Malevanets A, Kapral R, J. Chem. Phys., 110, 8605, 1999
- Malevanets A, Kapral R, J. Chem. Phys., 112(16), 7260, 2000
- He X, Luo LS, Phys. Rev. Lett., 56, 6811, 1997
- McNamara G, Zanetti G, Phys. Rev. Lett., 61, 2332, 1988
- Shan X, Chen H, Phys. Rev. E, 47, 1815, 1993
- Hoogerbrugge PJ, Koelman JMVA, Europhys. Lett., 19, 155, 1992
- Espanol P, Phys. Rev. E, 52, 1734, 1995
- Espanol P, Warren PB, Europhys. Lett., 30, 191, 1995
- Mussawisade K, Ripoll M, Winkler RG, Gompper G, J. Chem. Phys., 123, 144905, 2005
- Allahyarov E, Gompper G, Phys. Rev. E, 66, 036702, 2002
- Ihle T, Kroll DM, Phys. Rev. E, 63, 020201, 2001
- Ihle T, Tuzel E, Kroll DM, Phys. Rev. E, 72, 046707, 2005
- Kikuchi N, Pooley CM, Ryder JF, Yeomans JM, J. Chem. Phys., 119(12), 6388, 2003
- Noguchi H, Gompper G, Phys. Rev. E, 78, 016706, 2008
- Winkler RG, Huang CC, J. Chem. Phys., 130, 074907, 2009
- Myung JS, Winkler RG, Gompper G, J. Chem. Phys., 143, 243117, 2015
- Hecht M, Harting J, Ihle T, Herrmann HJ, Phys. Rev. E, 72, 011408, 2005
- Padding JT, Louis AA, Phys. Rev. Lett., 93, 220601, 2004
- Lee SH, Kapral R, J. Chem. Phys., 121(22), 11163, 2004
- Padding JT, Louis AA, Phys. Rev. E, 74, 031402, 1995
- Poblete S, Wysocki A, Gompper G, Winkler RG, Phys. Rev. E, 90, 033314, 2014
- Whitmer JK, Luijten E, J. Phys. Condens. Matter, 22, 104106, 2010
- Wysocki A, Royall CP, Winkler RG, Gompper G, Tanaka H, van Blaaderen A, Lowen H, Soft Matter, 5, 1340, 2009
- Ripoll M, Holmqvist P, Winkler RG, Gompper G, Dhont JKG, Lettinga MP, Phys. Rev. Lett., 101, 168302, 2008
- Kanehl P, Stark H, J. Chem. Phys., 142, 214901, 2015
- Frank S, Winkler RG, Europhys. Lett., 83, 38004, 2008
- Franosch T, Grimm M, Belushkin M, Mor FM, Foffi G, Forro L, Jeney S, Nature, 478(7367), 85, 2011
- Huang CC, Winkler RG, Sutmann G, Gompper G, Macromolecules, 43(23), 10107, 2010
- Huang CC, Gompper G, Winkler RG, J. Chem. Phys., 138, 144902, 2013
- Jiang L, Watari N, Larson RG, J. Rheol., 57(4), 1177, 2013
- Malevanets A, Yeomans JM, Europhys. Lett., 52, 231, 2000
- Mussawisade K, Ripoll M, Winkler RG, Gompper G, J. Chem. Phys., 123, 144905, 2005
- Myung JS, Taslimi F, Winkler RG, Gompper G, Macromolecules, 47(12), 4118, 2014
- Ripoll M, Mussawisade K, Winkler RG, Gompper G, Europhys. Lett., 68, 106, 2004
- Singh SP, Huang C, Westphal E, Gompper G, Winkler RG, J. Chem. Phys., 141, 084901, 2014
- Singh SP, Winkler RG, Gompper G, Phys. Rev. Lett., 107, 158301, 2011
- Taslimi F, Gompper G, Winkler RG, Macromolecules, 47(19), 6946, 2014
- Kobayashi H, Winkler RG, Polymer, 6, 1602, 2014
- Maccarrone S, Ghavami A, Holderer O, Scherzinger C, Lindner P, Richtering W, Richter D, Winkler RG, Macromolecules, 49(9), 3608, 2016
- Hu JJ, Wysocki A, Winkler RG, Gompper G, Sci. Rep., 5, 9586, 2015
- Hu J, Yang M, Gompper G, Winkler RG, Soft Matter, 11, 7867, 2015
- Reigh SY, Winkler RG, Gompper G, Soft Matter, 8, 4363, 2012
- Reigh SY, Winkler RG, Gompper G, PLoS One, 8, e70868, 2013
- McWhirter JL, Noguchi H, Gompper G, Proc. Natl. Acad. Sci. U.S.A., 106, 6039, 2009
- Noguchi H, Gompper G, Proc. Natl. Acad. Sci. U.S.A., 102, 14159, 2005
- Peltomaki M, Gompper G, Soft Matter, 9, 8346, 2013
- de Buyl P, Kapral R, Nanoscale, 5, 1337, 2013
- Elgeti J, Winkler RG, Gompper G, Rep. Prog. Phys., 78, 056601, 2015
- Zottl A, Stark H, Phys. Rev. Lett., 112, 118101, 2014
- Westphal E, Singh S, Huang CC, Gompper G, Winkler RG, Comput. Phys. Commun., 185, 495, 2014
- Myung JS, Song S, Ahn KH, Lee SJ, J. Non-Newton. Fluid Mech., 166(19-20), 1183, 2011
- Becker EB, Carey GF, Oden JT, Finite Elements: An Introduction, Prentice-Hall, New Jersey (1981).
- Myung JS, Song S, Ahn KH, J. Non-Newton. Fluid Mech., 199, 29, 2013
- Choi S, Ahn KH, J. Non-Newton. Fluid Mech., 211, 62, 2014
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