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2013 | OriginalPaper | Buchkapitel

Spinodal Decomposition Kinetics of Colloid-Polymer Mixtures Including Hydrodynamic Interactions

verfasst von : Alexander Winkler, Peter Virnau, Kurt Binder

Erschienen in: High Performance Computing in Science and Engineering ‘12

Verlag: Springer Berlin Heidelberg

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Abstract

The phase separation dynamics of a model colloid-polymer mixture is studied by taking explicitly the hydrodynamic interactions caused by the solvent into account. Based on the studies on equilibrium phase behavior we perform a volume quench from the homogeneous region of the phase diagram deep into the region where colloid-rich and polymer-rich phases coexist. We demonstrate that the Multiparticle Collision Dynamics (MPCD) algorithm is well suited to study spinodal decomposition and present first results on the domain growth behavior of colloid-polymer mixtures in quasi two-dimensional confinement. On the one hand side we find that the boundary condition of the solvent with respect to the repulsive walls strongly influences the phase separation dynamics and on the other hand we show that the wetting behavior of the system leads to changes in the demixing pattern morphology over time and hence affects the domain growth laws.

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Literatur
1.
Zurück zum Zitat T. Palberg. Crystallization kinetics of repulsive colloidal spheres. J. Phys.: Condens. Matter, 11:R323, 1999. T. Palberg. Crystallization kinetics of repulsive colloidal spheres. J. Phys.: Condens. Matter, 11:R323, 1999.
2.
Zurück zum Zitat P. N. Pusey. Colloidal suspensions. In J. P. Hansen, D. Levesque, and J. Zinn-Justin, editors, Liquids, freezing, and glass transition, page 763, Amsterdam, 1991. North Holland. P. N. Pusey. Colloidal suspensions. In J. P. Hansen, D. Levesque, and J. Zinn-Justin, editors, Liquids, freezing, and glass transition, page 763, Amsterdam, 1991. North Holland.
3.
Zurück zum Zitat E. Bartsch. Diffusion in concentrated colloidal suspensions and glasses. Curr. Opin. Colloid Interface Sci, 3:577, 1998.CrossRef E. Bartsch. Diffusion in concentrated colloidal suspensions and glasses. Curr. Opin. Colloid Interface Sci, 3:577, 1998.CrossRef
4.
Zurück zum Zitat H. Löwen. Colloidal dispersions in external fields: recent developments. J. Phys.: Condens. Matter, 20:404201, 2008. H. Löwen. Colloidal dispersions in external fields: recent developments. J. Phys.: Condens. Matter, 20:404201, 2008.
5.
Zurück zum Zitat New developments in colloid science. MRS Bull. 29 (2004). New developments in colloid science. MRS Bull. 29 (2004).
6.
Zurück zum Zitat K. Binder and D. Stauffer. Theory for slowing down of relaxation and spinodal decomposition of binary-mixtures. Phys. Rev. Lett., 33:1006, 1974.CrossRef K. Binder and D. Stauffer. Theory for slowing down of relaxation and spinodal decomposition of binary-mixtures. Phys. Rev. Lett., 33:1006, 1974.CrossRef
7.
Zurück zum Zitat I.M. Lifshitz and V.V. Slyozov. The kinetics of precipitation from supersaturated solid solutions. J. Phys. Chem. Solids, 19:35, 1961.CrossRef I.M. Lifshitz and V.V. Slyozov. The kinetics of precipitation from supersaturated solid solutions. J. Phys. Chem. Solids, 19:35, 1961.CrossRef
8.
Zurück zum Zitat Daniel Reith, Katarzyna Bucior, Leonid Yelash, Peter Virnau, and Kurt Binder. Spinodal decomposition of polymer solutions: molecular dynamics simulations of the two-dimensional case. J. Phys.: - Condens. Matter, 24(11):115102, MAR 21 2012. Daniel Reith, Katarzyna Bucior, Leonid Yelash, Peter Virnau, and Kurt Binder. Spinodal decomposition of polymer solutions: molecular dynamics simulations of the two-dimensional case. J. Phys.: - Condens. Matter, 24(11):115102, MAR 21 2012.
9.
Zurück zum Zitat H. Furukawa. Effect of inertia on droplet growth in a fluid. Phys. Rev. A, 31:1103, 1985.CrossRef H. Furukawa. Effect of inertia on droplet growth in a fluid. Phys. Rev. A, 31:1103, 1985.CrossRef
10.
Zurück zum Zitat S.K. Das, J. Horbach, K. Binder, and S. Puri. Molecular dynamics study of phase separation kinetics in thin films. Phys. Rev. Lett., 96:016107, 2006.CrossRef S.K. Das, J. Horbach, K. Binder, and S. Puri. Molecular dynamics study of phase separation kinetics in thin films. Phys. Rev. Lett., 96:016107, 2006.CrossRef
11.
Zurück zum Zitat Leonid Yelash, Peter Virnau, Wolfgang Paul, Kurt Binder, and Marcus Mueller. Spinodal decomposition of polymer solutions: A parallelized molecular dynamics simulation. Phys. Rev. E, 78(3, Part 1):031801, SEP 2008. Leonid Yelash, Peter Virnau, Wolfgang Paul, Kurt Binder, and Marcus Mueller. Spinodal decomposition of polymer solutions: A parallelized molecular dynamics simulation. Phys. Rev. E, 78(3, Part 1):031801, SEP 2008.
12.
Zurück zum Zitat SK Das, S Puri, J Horbach, and K Binder. Spinodal decomposition in thin films: Molecular-dynamics simulations of a binary Lennard-Jones fluid mixture. Phys. Rev. E, 73(3, Part 1):031604, MAR 2006. SK Das, S Puri, J Horbach, and K Binder. Spinodal decomposition in thin films: Molecular-dynamics simulations of a binary Lennard-Jones fluid mixture. Phys. Rev. E, 73(3, Part 1):031604, MAR 2006.
13.
Zurück zum Zitat Michael J. A. Hore and Mohamed Laradji. Dissipative particle dynamics simulation of the interplay between spinodal decomposition and wetting in thin film binary fluids. J. Chem. Phys., 132(2):024908, JAN 14 2010. Michael J. A. Hore and Mohamed Laradji. Dissipative particle dynamics simulation of the interplay between spinodal decomposition and wetting in thin film binary fluids. J. Chem. Phys., 132(2):024908, JAN 14 2010.
14.
Zurück zum Zitat J. Zausch, P. Virnau, J. Horbach, R. L. C. Vink, and K. Binder. Statics and dynamics of colloid-polymer mixtures near their critical point of phase separation: A computer simulation of a continuous AO model. J. Chem. Phys., 130:064906, 2009.CrossRef J. Zausch, P. Virnau, J. Horbach, R. L. C. Vink, and K. Binder. Statics and dynamics of colloid-polymer mixtures near their critical point of phase separation: A computer simulation of a continuous AO model. J. Chem. Phys., 130:064906, 2009.CrossRef
15.
Zurück zum Zitat G. Gompper, T. Ihle, K. Kroll, and R.G. Winkler. Multi-particle collision dynamics: A particle-based mesoscale simulation approach to the hydrodynamics of complex fluids. Adv. Poly. Sci., 221:1, 2009. G. Gompper, T. Ihle, K. Kroll, and R.G. Winkler. Multi-particle collision dynamics: A particle-based mesoscale simulation approach to the hydrodynamics of complex fluids. Adv. Poly. Sci., 221:1, 2009.
16.
Zurück zum Zitat A. Malevanets and R. Kapral. Mesoscopic model for solvent dynamics. J. Chem. Phys., 110:8605, 1999.CrossRef A. Malevanets and R. Kapral. Mesoscopic model for solvent dynamics. J. Chem. Phys., 110:8605, 1999.CrossRef
17.
Zurück zum Zitat A. Malevanets and R. Kapral. Solute molecular dynamics in a mesoscale solvent. J. Chem. Phys., 112:7260, 2000.CrossRef A. Malevanets and R. Kapral. Solute molecular dynamics in a mesoscale solvent. J. Chem. Phys., 112:7260, 2000.CrossRef
18.
Zurück zum Zitat A. Malevanets and J. Yeomans. Dynamics of short polymer chains in solution. EPL, 52:231, 2000.CrossRef A. Malevanets and J. Yeomans. Dynamics of short polymer chains in solution. EPL, 52:231, 2000.CrossRef
19.
Zurück zum Zitat R. L. C. Vink and J. Horbach. Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: Coexistence line, critical behavior, and interfacial tension. J. Chem. Phys., 121:3253, 2004.CrossRef R. L. C. Vink and J. Horbach. Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: Coexistence line, critical behavior, and interfacial tension. J. Chem. Phys., 121:3253, 2004.CrossRef
20.
Zurück zum Zitat P. Virnau and M. Müller. Calculation of free energy through successive umbrella sampling. J. Chem. Phys., 120:10925, 2004.CrossRef P. Virnau and M. Müller. Calculation of free energy through successive umbrella sampling. J. Chem. Phys., 120:10925, 2004.CrossRef
21.
Zurück zum Zitat F. Wang and D. P. Landau. Efficient, multiple-range random walk algorithm to calculate the density of states. Phys. Rev. Lett., 86:2050, 2001.CrossRef F. Wang and D. P. Landau. Efficient, multiple-range random walk algorithm to calculate the density of states. Phys. Rev. Lett., 86:2050, 2001.CrossRef
22.
Zurück zum Zitat A. Winkler, D. Wilms, P. Virnau, and K. Binder. Capillary condensation in cylindrical pores: Monte Carlo study of the interplay of surface and finite size effects. J. Chem. Phys., 133:164702, 2010.CrossRef A. Winkler, D. Wilms, P. Virnau, and K. Binder. Capillary condensation in cylindrical pores: Monte Carlo study of the interplay of surface and finite size effects. J. Chem. Phys., 133:164702, 2010.CrossRef
23.
Zurück zum Zitat G. Sutmann, R.G. Winkler, and G. Gompper. Simulating hydrodynamics of complex fluids: Multi-particle collision dynamics coupled to molecular dynamics on massively parallel computers. (in preparation). G. Sutmann, R.G. Winkler, and G. Gompper. Simulating hydrodynamics of complex fluids: Multi-particle collision dynamics coupled to molecular dynamics on massively parallel computers. (in preparation).
24.
Zurück zum Zitat A. Winkler, R.G. Winkler, P. Virnau, G. Gompper, and K. Binder. Multiparticle collision dynamics study of hydrodynamic mechanisms of spinodal decomposition in confined colloid-polymer mixtures. (in preparation). A. Winkler, R.G. Winkler, P. Virnau, G. Gompper, and K. Binder. Multiparticle collision dynamics study of hydrodynamic mechanisms of spinodal decomposition in confined colloid-polymer mixtures. (in preparation).
25.
Zurück zum Zitat H. Chen and A. Chakrabarti. Hydrodynamic effects on domain growth in off-critical polymer blends. J. Chem. Phys., 108(14):6006–6013, APR 8 1998. H. Chen and A. Chakrabarti. Hydrodynamic effects on domain growth in off-critical polymer blends. J. Chem. Phys., 108(14):6006–6013, APR 8 1998.
26.
Zurück zum Zitat B. Crist. On “pinning” domain growth in two-phase polymer liquids. Macromolecules, 29(22):7276–7279, OCT 21 1996. B. Crist. On “pinning” domain growth in two-phase polymer liquids. Macromolecules, 29(22):7276–7279, OCT 21 1996.
27.
Zurück zum Zitat J. Lauger, R. Lay, and W. Gronski. The percolation-to-cluster transition during spinodal decomposition of an off-critical polymer mixture - observation by light-scattering and optical microscopy. J. Chem. Phys., 101(8):7181–7184, OCT 15 1994. J. Lauger, R. Lay, and W. Gronski. The percolation-to-cluster transition during spinodal decomposition of an off-critical polymer mixture - observation by light-scattering and optical microscopy. J. Chem. Phys., 101(8):7181–7184, OCT 15 1994.
Metadaten
Titel
Spinodal Decomposition Kinetics of Colloid-Polymer Mixtures Including Hydrodynamic Interactions
verfasst von
Alexander Winkler
Peter Virnau
Kurt Binder
Copyright-Jahr
2013
Verlag
Springer Berlin Heidelberg
DOI
https://doi.org/10.1007/978-3-642-33374-3_4