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Received July 2, 2016
Accepted August 7, 2016
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A review on particle dynamics simulation techniques for colloidal dispersions: Methods and applications
School of Chemical and Biological Engineering, Institute of Chemical Process, Seoul National University, Seoul 08826, Korea 1Physical Chemistry, Department of Chemistry, Lund University, SE-22100 Lund, Sweden
ahnnet@snu.ac.kr
Korean Journal of Chemical Engineering, November 2016, 33(11), 3069-3078(10), 10.1007/s11814-016-0229-9
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Abstract
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.
Keywords
References
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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)
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Koumakis N, Laurati M, Jacob AR, Mutch KJ, Abdellali A, Schofield AB, Egelhaaf SU, Brady JF, Petekidis G, J. Rheol., 60, 603 (2016)
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Zaccarelli E, J. Phys. Condens. Matter, 19, 323101 (2007)
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Mohammadi M, Larson ED, Liu J, Larson RG, J. Chem. Phys., 142, 024108 (2015)
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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)
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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)
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