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Volumn 181-182, Issue , 2012, Pages 1-10

Computational model for Brownian dynamics simulation of polymer/clay nanocomposites under flow

Author keywords

Brownian dynamics simulation; Gay Berne potential; Polymer clay nanocomposites; Reversible network model; Shear flow

Indexed keywords

BROWNIAN DYNAMICS SIMULATIONS; COMPUTATIONAL MODEL; DISK-LIKE PARTICLE; DISPERSION SYSTEMS; FLOW DIRECTION; GAY-BERNE POTENTIALS; NETWORK MODELS; NUMERICAL RESULTS; OBLATE SPHEROID; ORIENTATION BEHAVIORS; PARTICLE MOTIONS; PARTICLE ORIENTATION; POLYMER NETWORKS; POLYMER/CLAY NANOCOMPOSITES; TWO-STATE; WELL-ALIGNED;

EID: 84864359032     PISSN: 03770257     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnnfm.2012.06.005     Document Type: Article
Times cited : (10)

References (42)
  • 3
    • 0032709129 scopus 로고    scopus 로고
    • Polymer-layered silicate nanocomposites: An overview
    • LeBaron P.C., Wang Z., Pinnavaia T.J. Polymer-layered silicate nanocomposites: an overview. Appl. Clay Sci. 1999, 15:11-29.
    • (1999) Appl. Clay Sci. , vol.15 , pp. 11-29
    • LeBaron, P.C.1    Wang, Z.2    Pinnavaia, T.J.3
  • 4
    • 0000542694 scopus 로고    scopus 로고
    • A house of cards structure in polypropylene/clay nanocomposites under elongational flow
    • Okamoto M., Nam P.H., Maiti P., Kotaka T., Hasegawa N., Usuki A. A house of cards structure in polypropylene/clay nanocomposites under elongational flow. Nano Lett. 2001, 1:295-298.
    • (2001) Nano Lett. , vol.1 , pp. 295-298
    • Okamoto, M.1    Nam, P.H.2    Maiti, P.3    Kotaka, T.4    Hasegawa, N.5    Usuki, A.6
  • 5
    • 0034139788 scopus 로고    scopus 로고
    • Liquid crystal polymer nanocomposites: direct intercalation of thermotropic liquid crystalline polymers into layered silicates
    • Vaia R.A., Giannelis E.P. Liquid crystal polymer nanocomposites: direct intercalation of thermotropic liquid crystalline polymers into layered silicates. Polymer 2001, 42:1281-1285.
    • (2001) Polymer , vol.42 , pp. 1281-1285
    • Vaia, R.A.1    Giannelis, E.P.2
  • 6
    • 0035903545 scopus 로고    scopus 로고
    • Nylon 6 nanocomposites: the effect of matrix molecular weight
    • Fornes T.D., Yoon P.J., Keskkula H., Paul D.R. Nylon 6 nanocomposites: the effect of matrix molecular weight. Polymer 2001, 42:9929-9940.
    • (2001) Polymer , vol.42 , pp. 9929-9940
    • Fornes, T.D.1    Yoon, P.J.2    Keskkula, H.3    Paul, D.R.4
  • 7
    • 0037190759 scopus 로고    scopus 로고
    • Thermal expansion behavior of nylon 6 nanocomposites
    • Yoon P.J., Fornes T.D., Paul D.R. Thermal expansion behavior of nylon 6 nanocomposites. Polymer 2002, 43:6727-6741.
    • (2002) Polymer , vol.43 , pp. 6727-6741
    • Yoon, P.J.1    Fornes, T.D.2    Paul, D.R.3
  • 8
    • 0036735755 scopus 로고    scopus 로고
    • In situ rheo-X-ray investigation of flow-induced orientation in layered silicate-syndiotactic polypropylene nanocomposite melt
    • Lele A., Mackley M., Galgali G., Ramesh C. In situ rheo-X-ray investigation of flow-induced orientation in layered silicate-syndiotactic polypropylene nanocomposite melt. J. Rheol. 2002, 46:1091-1110.
    • (2002) J. Rheol. , vol.46 , pp. 1091-1110
    • Lele, A.1    Mackley, M.2    Galgali, G.3    Ramesh, C.4
  • 9
    • 0242407166 scopus 로고    scopus 로고
    • Polymer/layered silicate nanocomposites: A review from preparation to processing
    • Ray S.S., Okamoto M. Polymer/layered silicate nanocomposites: a review from preparation to processing. Prog. Polym. Sci. 2003, 28:1539-1641.
    • (2003) Prog. Polym. Sci. , vol.28 , pp. 1539-1641
    • Ray, S.S.1    Okamoto, M.2
  • 10
    • 0037449654 scopus 로고    scopus 로고
    • 3D hierarchical orientation in polymer-clay nanocomposite films
    • Bafna A., Beaucage G., Mirabella F., Mehta S. 3D hierarchical orientation in polymer-clay nanocomposite films. Polymer 2003, 44:1103-1115.
    • (2003) Polymer , vol.44 , pp. 1103-1115
    • Bafna, A.1    Beaucage, G.2    Mirabella, F.3    Mehta, S.4
  • 12
    • 31144468233 scopus 로고    scopus 로고
    • Rheological investigation of the melt state elastic and yield properties of a polyamide-12 layered silicate nanocomposite
    • Aubry T., Razafinimaro T., Médéric P. Rheological investigation of the melt state elastic and yield properties of a polyamide-12 layered silicate nanocomposite. J. Rheol. 2005, 49:425-440.
    • (2005) J. Rheol. , vol.49 , pp. 425-440
    • Aubry, T.1    Razafinimaro, T.2    Médéric, P.3
  • 13
    • 33747821701 scopus 로고    scopus 로고
    • Structural and mechanical properties of polymer nanocomposites
    • Tjong S.C. Structural and mechanical properties of polymer nanocomposites. Mater. Sci. Eng. R 2006, 53:73-197.
    • (2006) Mater. Sci. Eng. R , vol.53 , pp. 73-197
    • Tjong, S.C.1
  • 14
    • 77956910976 scopus 로고    scopus 로고
    • Shear-induced orientation in polymer/clay dispersions via in situ X-ray scattering
    • Dykes L.M.C., Torkelson J.M.T., Burghardt W.R., Krishnamoorti R. Shear-induced orientation in polymer/clay dispersions via in situ X-ray scattering. Polymer 2010, 51:4916-4927.
    • (2010) Polymer , vol.51 , pp. 4916-4927
    • Dykes, L.M.C.1    Torkelson, J.M.T.2    Burghardt, W.R.3    Krishnamoorti, R.4
  • 15
    • 0033733597 scopus 로고    scopus 로고
    • Multi-scale model for binary mixtures containing nanoscopic particles
    • Balazs A., Ginzburg V., Qui F., Peng G., Jasnow D. Multi-scale model for binary mixtures containing nanoscopic particles. J. Phys. Chem. B 2000, 104:3411-3422.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 3411-3422
    • Balazs, A.1    Ginzburg, V.2    Qui, F.3    Peng, G.4    Jasnow, D.5
  • 16
    • 0034498615 scopus 로고    scopus 로고
    • Calculating phase diagrams for nanocomposites: The effect of adding end-functionalized chains to polymer/clay mixtures
    • Ginzburg V., Balazs A. Calculating phase diagrams for nanocomposites: the effect of adding end-functionalized chains to polymer/clay mixtures. Adv. Mater. 2000, 23:1805-1809.
    • (2000) Adv. Mater. , vol.23 , pp. 1805-1809
    • Ginzburg, V.1    Balazs, A.2
  • 17
    • 33749151923 scopus 로고    scopus 로고
    • Modeling the dynamic behavior of diblock copolymer/particle composites
    • Ginzburg V., Gibbons C., Qiu F., Peng G., Balazs A. Modeling the dynamic behavior of diblock copolymer/particle composites. Macromolecules 2000, 33:6140-6147.
    • (2000) Macromolecules , vol.33 , pp. 6140-6147
    • Ginzburg, V.1    Gibbons, C.2    Qiu, F.3    Peng, G.4    Balazs, A.5
  • 18
    • 0001178381 scopus 로고    scopus 로고
    • Three-dimensional simulations of diblock copolymer/particle composites
    • Ginzburg V., Qiu F., Balazs A. Three-dimensional simulations of diblock copolymer/particle composites. Polymer 2002, 43:461-466.
    • (2002) Polymer , vol.43 , pp. 461-466
    • Ginzburg, V.1    Qiu, F.2    Balazs, A.3
  • 19
    • 0037192317 scopus 로고    scopus 로고
    • Block copolymer-directed assembly of nanoparticles: Forming mesoscopically ordered hybrid materials
    • Thompson R., Ginzberg V., Matsen M., Balazs A. Block copolymer-directed assembly of nanoparticles: Forming mesoscopically ordered hybrid materials. Macromolecules 2002, 35:1060-1071.
    • (2002) Macromolecules , vol.35 , pp. 1060-1071
    • Thompson, R.1    Ginzberg, V.2    Matsen, M.3    Balazs, A.4
  • 20
    • 0035853208 scopus 로고    scopus 로고
    • Monte Carlo simulations of polymer melts filled with solid nanoparticles
    • Vacatello M. Monte Carlo simulations of polymer melts filled with solid nanoparticles. Macromolecules 2001, 34:1946-1952.
    • (2001) Macromolecules , vol.34 , pp. 1946-1952
    • Vacatello, M.1
  • 21
    • 0035420147 scopus 로고    scopus 로고
    • Effects of nanoscopic filler on the structure and dynamics of a simulated polymer melt and the relationship to ultrathin films
    • Starr F., Schroder T., Glotzer S. Effects of nanoscopic filler on the structure and dynamics of a simulated polymer melt and the relationship to ultrathin films. Phys. Rev. E 2001, 64:021802.
    • (2001) Phys. Rev. E , vol.64 , pp. 021802
    • Starr, F.1    Schroder, T.2    Glotzer, S.3
  • 22
    • 0041344573 scopus 로고    scopus 로고
    • A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite
    • Smith J.S., Bedrov D., Smith G.D. A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite. Compos. Sci. Technol. 2003, 63:1599-1605.
    • (2003) Compos. Sci. Technol. , vol.63 , pp. 1599-1605
    • Smith, J.S.1    Bedrov, D.2    Smith, G.D.3
  • 23
    • 0000090209 scopus 로고    scopus 로고
    • Microstructure constitutive equation for discotic nematic liquid crystalline materials. Part I. Selection procedure and shear flow predictions
    • Singh A.P., Rey A.D. Microstructure constitutive equation for discotic nematic liquid crystalline materials. Part I. Selection procedure and shear flow predictions. Rheol. Acta 1998, 37:30-45.
    • (1998) Rheol. Acta , vol.37 , pp. 30-45
    • Singh, A.P.1    Rey, A.D.2
  • 24
    • 0032445973 scopus 로고    scopus 로고
    • Microstructure constitutive equation for discotic nematic liquid crystalline materials. Part II. Microstructure-rheology relations
    • Singh A.P., Rey A.D. Microstructure constitutive equation for discotic nematic liquid crystalline materials. Part II. Microstructure-rheology relations. Rheol. Acta 1998, 37:374-386.
    • (1998) Rheol. Acta , vol.37 , pp. 374-386
    • Singh, A.P.1    Rey, A.D.2
  • 25
    • 0034332835 scopus 로고    scopus 로고
    • Effect of long-range elasticity and boundary conditions on microstructural response of sheared discotic mesophases
    • Singh A.P., Rey A.D. Effect of long-range elasticity and boundary conditions on microstructural response of sheared discotic mesophases. J. Non-Newtonian Fluid Mech. 2000, 94:87-111.
    • (2000) J. Non-Newtonian Fluid Mech. , vol.94 , pp. 87-111
    • Singh, A.P.1    Rey, A.D.2
  • 26
    • 77952744489 scopus 로고    scopus 로고
    • Simulation of the rheological properties of suspensions of oblate spheroidal particles in a Newtonian fluid
    • Bertevas E., Fan X., Tanner R.I. Simulation of the rheological properties of suspensions of oblate spheroidal particles in a Newtonian fluid. Rheol. Acta 2010, 49:53.
    • (2010) Rheol. Acta , vol.49 , pp. 53
    • Bertevas, E.1    Fan, X.2    Tanner, R.I.3
  • 27
    • 27244439378 scopus 로고    scopus 로고
    • Brownian dynamics simulation of orientational behavior, flow-induced structure, and rheological properties of suspension of oblate spheroid particles under simple shear
    • Yamamoto T., Suga T., Mori N. Brownian dynamics simulation of orientational behavior, flow-induced structure, and rheological properties of suspension of oblate spheroid particles under simple shear. Phys. Rev. E 2005, 72:021509.
    • (2005) Phys. Rev. E , vol.72 , pp. 021509
    • Yamamoto, T.1    Suga, T.2    Mori, N.3
  • 28
    • 77953082626 scopus 로고    scopus 로고
    • Brownian dynamics simulation of multiphase suspension of disc-like particles and polymers
    • Yamamoto T., Kasama H. Brownian dynamics simulation of multiphase suspension of disc-like particles and polymers. Rheol. Acta 2010, 49:573-584.
    • (2010) Rheol. Acta , vol.49 , pp. 573-584
    • Yamamoto, T.1    Kasama, H.2
  • 30
    • 0347638498 scopus 로고
    • Kinetic theory and rheology of dilute suspensions of finitely extensible dumbbells
    • Warner H.R. Kinetic theory and rheology of dilute suspensions of finitely extensible dumbbells. Ind. Eng. Chem. Fundamen. 1972, 11:379-387.
    • (1972) Ind. Eng. Chem. Fundamen. , vol.11 , pp. 379-387
    • Warner, H.R.1
  • 31
    • 34548157678 scopus 로고    scopus 로고
    • Prediction of rheological properties of associative polymeric fluids using a reversible network with non-interacting FENE dumbbell model, Nihon Reoroji Gakkaishi
    • A. Sunarso, T. Yamamoto, Prediction of rheological properties of associative polymeric fluids using a reversible network with non-interacting FENE dumbbell model, Nihon Reoroji Gakkaishi, J. Soc. Rheol. Jpn 35 (2007) 129-136.
    • (2007) J. Soc. Rheol. Jpn , vol.35 , pp. 129-136
    • Sunarso, A.1    Yamamoto, T.2
  • 32
    • 0026889231 scopus 로고
    • Viscoelastic properties of physically crosslinked networks Part 1. Non-linear stationary viscoelasticity
    • Tanaka F., Edwards S.F. Viscoelastic properties of physically crosslinked networks Part 1. Non-linear stationary viscoelasticity. J. Non-Newtonian Fluid Mech. 1992, 43:247-271.
    • (1992) J. Non-Newtonian Fluid Mech. , vol.43 , pp. 247-271
    • Tanaka, F.1    Edwards, S.F.2
  • 34
    • 6744234112 scopus 로고
    • Modification of the overlap potential to mimic a linear site-site potential
    • Gay J.G., Berne B.J. Modification of the overlap potential to mimic a linear site-site potential. J. Chem. Phys. 1981, 74:3316-3319.
    • (1981) J. Chem. Phys. , vol.74 , pp. 3316-3319
    • Gay, J.G.1    Berne, B.J.2
  • 35
    • 84943822070 scopus 로고
    • Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen
    • Luckhurst G.R., Stephens R.A., Phippen R.W. Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen. Liq. Cryst. 1990, 8:451-464.
    • (1990) Liq. Cryst. , vol.8 , pp. 451-464
    • Luckhurst, G.R.1    Stephens, R.A.2    Phippen, R.W.3
  • 36
    • 0000084329 scopus 로고    scopus 로고
    • Computer simulation studies of anisotropic systems. XXX. The phase behavior and structure of a Gay-Berne mesogen
    • Bates M.A., Luckhurst G.R. Computer simulation studies of anisotropic systems. XXX. The phase behavior and structure of a Gay-Berne mesogen. J. Chem. Phys. 1999, 110:7087-7108.
    • (1999) J. Chem. Phys. , vol.110 , pp. 7087-7108
    • Bates, M.A.1    Luckhurst, G.R.2
  • 37
    • 0013334632 scopus 로고    scopus 로고
    • Simple shear flows of suspensions of Brownian ellipsoids interacting via the Gay-Berne potential
    • Mori N., Semura R., Nakamura K. Simple shear flows of suspensions of Brownian ellipsoids interacting via the Gay-Berne potential. Mol. Cryst. Liq. Cryst. Sci. 2001, 367:445-454.
    • (2001) Mol. Cryst. Liq. Cryst. Sci. , vol.367 , pp. 445-454
    • Mori, N.1    Semura, R.2    Nakamura, K.3
  • 38
    • 0037286066 scopus 로고    scopus 로고
    • Brownian dynamics simulations for suspension of ellipsoids in liquid crystalline phase under simple shear flows
    • Mori N., Fujioka H., Semura R., Nakamura K. Brownian dynamics simulations for suspension of ellipsoids in liquid crystalline phase under simple shear flows. Rheol. Acta 2003, 42:102-109.
    • (2003) Rheol. Acta , vol.42 , pp. 102-109
    • Mori, N.1    Fujioka, H.2    Semura, R.3    Nakamura, K.4
  • 39
    • 33947538833 scopus 로고    scopus 로고
    • Nuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystal
    • Lintuvuori J., Straka M., Vaara J. Nuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystal. Phys. Rev. E 2007, 75:031707.
    • (2007) Phys. Rev. E , vol.75 , pp. 031707
    • Lintuvuori, J.1    Straka, M.2    Vaara, J.3
  • 40
    • 7544220267 scopus 로고
    • The computer study of transport processes under extreme conditions
    • Lees A.W., Edwards S.F. The computer study of transport processes under extreme conditions. J. Phys. C 1972, 5:1921-1929.
    • (1972) J. Phys. C , vol.5 , pp. 1921-1929
    • Lees, A.W.1    Edwards, S.F.2
  • 41
    • 84904160622 scopus 로고
    • The effect of Brownian motion on the rheological properties of a suspension of non-spherical particles
    • Hinch E.J., Leal L.G. The effect of Brownian motion on the rheological properties of a suspension of non-spherical particles. J. Fluid Mech. 1972, 52:683-712.
    • (1972) J. Fluid Mech. , vol.52 , pp. 683-712
    • Hinch, E.J.1    Leal, L.G.2


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