Abstract
By definition, soft matter systems react sensitively upon external mechanical perturbations. This material class includes mesoscopic complex fluids such as colloidal suspensions. It is a major challenge to understand the fascinating properties of colloids from first principles, i.e., by deriving its properties from the microscopic interactions. Here, concepts borrowed from statistical physics are described, which are capable to overbridge the gap from microscopic over mesoscopic to macroscopic length scales. This is illustrated explicitly for charged colloidal suspensions and for star polymer solutions. A particular emphasis is placed on density functional theory.
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References
For a recent review, see: T. A. Witten (1999) Insights from soft condensed matter. Rev. Mod. Phys. 71, pp. S367–S373
R. J. Hunter (1989) Foundations of Colloid Science Volume I, Oxford Science Publications, Clarendon Press, Oxford
See e.g.: S. Neser, C. Bechinger, P. Leiderer, T. Palberg (1997) Finite-Size Effects on the Closest Packing of Hard Spheres. Phys. Rev. Letters 79, pp. 2348–2351
For a review see: G. S. Grest, L. J. Fetters, J. S. Huang, D. Richter (1996) Star Polymers: Experiment, theory and simulation. Advances in Chemical Physics Volume XCIV, p. 67
J.-P. Hansen, H. Löwen (2002) Effective interactions for large-scale simulations of complex fluids, in: Bridging Time Scales: Molecular Simulations for the Next Decade P. Nielaba, M. Mareschal, G. Ciccotti (Eds.), Springer, Berlin, pp. 167–198, ISBN 3-540-44317-7
C. N. Likos (2001) Effective interactions in soft condensed matter physics. Physics Reports 348, pp. 267–439
L. Belloni (2000) Colloidal interactions. J. Phys.: Condens. Matter 12, pp. R549–R587
J. P. Hansen, H. Löwen (2000) Effective interactions between electric doublelayers. Ann. Rev. Phys. Chem. 51, pp. 209–242
M. Dijkstra (2001) Computer simulations of charge and steric stabilised colloidal suspensions. Current Opinion in Colloid and Interface Science 6, pp. 372–382
See e.g. R. van Roij, M. Dijkstra, J. P. Hansen (1999) Phase diagram of chargestabilized colloidal suspensions: van der Waals instability without attractive forces. Phys. Rev. E 59, pp. 2010–2025
H. Löwen (1994) Melting, freezing and colloidal suspensions. Phys. Reports 237, pp. 249–324
For an extensive review of classical DFT see R. Evans in Fundamentals of Inhomogeneous Fluids. edited by D. Henderson (Marcel Decker, New York, 1992)
J. P. Hansen and E. Smargiassi (1996) in Monte Carlo and Molecular Dynamics of Condensed Matter Systems, edited by K. Binder and G. Ciccotti Societa Italiana di Fisica, Bologna
See e.g. G. Galli and M. Parrinello (1991) in Computer Simulations in Materials Science. P. 282, edited by M. Meyer and V. Pontikis Kluwer, Dordrecht
H. Löwen, J. P. Hansen, P. A. Madden (1993) Nonlinear counterion screening in colloidal suspensions. J. Chem. Phys. 98, pp. 3275–3289
F. Gygi, G. Galli (1995) Real-space adaptive-coordinate electronic-structure calculations. Phys. Rev. B 52, pp. R2229–R2232
R. Roth, R. Evans, S. Dietrich (2000) Depletion potential in hard-sphere mixtures: Theory and applications. Phys. Rev. E 62, pp. 5360–5377
D. Goulding, S. Melchionna (2001) Accurate calculation of three-body depletion interactions. Phys. Rev. E 64, p. 011403 (1-9)
Y. Rosenfeld, M. Schmidt, H. Löwen, P. Tarazona (1997) Fundamental-measure free energy density functional for hard spheres: Dimensional crossover and freezing. Phys. Rev. E 55, pp. 4245-4263
H. Löwen (2000) in: “Spatial Statistics and Statistical Physics”, edited by K. Mecke and D. Stoyan, Springer Lecture Notes in Physics 554, pp. 295–331, Berlin
A. Lang, C. N. Likos, M. Watzlawek, H. Löwen (2000) Fluid and solid phases of the Gaussian core model. J. Phys.: Condensed Matter 12, pp. 5087–5108
C. N. Likos, A. Lang, M. Watzlawek, H. Löwen (2001) Criterion for determining clustering versus reentrant melting behavior for bounded interaction potentials. Phys. Rev. E 63, p. 031206 (1-9)
A. A. Louis (2000) Effective potentials for polymers and colloids: beyond the van der Waals picture of fluids? Philos. Trans. R. Soc. Lond. A 359, pp. 939–960
M. Schmidt (1999) Density-functional theory for soft interactions by dimensional crossover. Phys. Rev. E 60, pp. R6291–R6294
B. V. Derjaguin, L. D. Landau (1948) Acta Physicochim. USSR 14, 633 (1941); E. J. W. Verwey and J. T. G. Overbeek, Theory of the Stability of Lyophobic Colloids. Elsevier, Amsterdam
A. Delville, R. J. M. Pellenq (2000) Electrostatic attraction and/or repulsion between charged colloids : a (NVT) Monte-Carlo study, Molecular Simulation 24, pp. 1–24; R. Messina, C. Holm, K. Kremer (2000) Strong Attraction between Charged Spheres due to Metastable Ionized States. Phys. Rev. Lett. 85, pp. 872–875; T. Terao, T. Nakayama (2001) Charge inversion of colloidal particles in an aqueous solution: Screening by multivalent ions Phys. Rev. E 63, 041401 (1–6); B. Hribar, V. Vlachy (2001) A Monte Carlo Study of Micellar Solutions with a Mixture of Mono- and Trivalent Counterions. Langmuir 17, pp. 2043–2046
A. Delville (1999) (N,V,T) Monte Carlo Simulations of the Electrostatic Interaction between Charged Colloids: Finite Size Effects. J. Phys. Chem. B 103, pp. 8296–8300; A. Delville, P. Levitz (2001) Direct Derivation of the Free Energy of Two Charged Lamellar Colloids from (N,V,T) Monte Carlo Simulations. J. Phys. Chem. B 105, pp. 663–667
H. Löwen, E. Allahyarov (1998) The role of effective triplet interactions in charged colloidal suspensions. J. Phys.: Condensed Matter 10, pp. 4147–4160
R. D. Groot (1991) Ion condensation on solid particles: Theory and simulations. J. Chem. Phys. 95, pp. 9191–9203
M. J. Stevens, M. L. Falk, M. O. Robbins (1996) Interactions between charged spherical macroions. J. Chem. Phys. 104, pp. 5209–5219
H. Löwen, G. Kramposthuber (1993) Optimal effective pair potential for charged colloids. Europhys. Lett. 23, pp. 673–678
H. Löwen (1994) Interaction between charged rod-like colloidal particles. Phys. Rev. Lett. 72, pp. 424–427; (1994) Charged rod-like colloidal suspensions: an ab initio approach. J. Chem. Phys. 100, pp. 6738–6749
S. Kutter, J. P. Hansen, M. Sprik, E. Boek (2001) Structure and phase behavior of a model clay dispersion: A molecular-dynamics investigation. J. Chem. Phys. 112, pp. 311–322
T. A. Witten, P. A. Pincus (1986) Colloid Stabilization by Long Grafted Polymers. Macromolecules 19, pp. 2509–2513
M. Dauod, J. P. Cotton (1982) Star Shaped Polymers: A Model for the Conformation and Its Concentration Dependence. J. Phys. (Paris) 43, pp. 531–538
C. N. Likos, H. Löwen, M. Watzlawek, B. Abbas, O. Jucknischke, J. Allgaier, D. Richter (1998) Star Polymers Viewed as Ultrasoft Colloidal Particles. Phys. Rev. Letters 80, pp. 4450–4453
A. Jusufi, M. Watzlawek, H. Löwen (1999) Effective Interaction between Star Polymers. Macromolecules 32, pp. 4470–4473
C. von Ferber, A. Jusufi, C. N. Likos, H. Löwen, M. Watzlawek (2000) Triplet interactions in star polymer solutions. Europhys. Journal E 2, pp. 311–318
M. Watzlawek, C. N. Likos, H. Löwen (1999) Phase Diagram of Star Polymer Solutions. Phys. Rev. Letters. 82, pp. 5289–5292
M. Watzlawek, H. Löwen, C. N. Likos (1998) The anomalous structure factor of dense star polymer solutions. J. Phys.: Condensed Matter 10, pp. 8189–8205
G. A. McConnell, A. P. Gast (1997) Melting of Ordered Arrays and Shape Transitions in Highly Concentrated Diblock Copolymer Solutions. Macromolecules 30, pp. 435–444
T. P. Lodge, J. Bang, M. J. Park, K. Char (2004) Origin of the Thermoreversible fcc-bcc Transition in Block Copolymer Solutions. Phys. Rev. Lett. 92, p. 145501 (1-4)
M. Laurati, J. Stellbrink, R. Lund, L. Willner, D. Richter, E. Zaccarelli (2005) Starlike Micelles with Starlike Interactions: A Quantitative Evaluation of Structure Factors and Phase Diagram. Phys. Rev. Lett. 94, p. 195504 (1-4)
S. T. Milner, T. A. Witten, M. E. Cates (1988) Theory of the Grafted Polymer Brush. Macromolecules 21, pp. 2610–2619
J. Mewis, W. J. Frith, T. A. Strivens, W. B. Russel (1989) The rheology of suspensions containing polymerically stabilized particles. A. I. Ch. E. J. 35, pp. 415–422
U. Genz, B. D’Aguanno, J. Mewis, R. Klein (1994) Structure of Sterically Stabilized Colloids. Langmuir 10, pp. 2206–2212
C. N. Likos, H. Löwen, A. Poppe, L. Willner, J. Roovers, B. Cubitt, D. Richter (1998) Ordering phenomena of star polymer solutions approaching the o state. Phys. Rev. E 58, pp. 6299–6307
P. Pincus (1991) Colloid Stabilization with Grafted Polyelectrolytes. Macromolecules 24, pp. 2912–2919
A. Jusufi, C. N. Likos, H. Löwen (2002) Conformations and Interactions of Star-Branched Polyelectrolytes. Phys. Rev. Letters 88, p. 018301 (1-4)
S. Asakura, F. Oosawa (1954) On Interaction between Two Bodies Immersed in a Solution of Macromolecules. J. Chem. Phys. 22, pp. 1255–1256
A. Vrij (1976) Polymers at interfaces and the interactions in colloidal dispersions. Pure Appl. Chem. 48, pp. 471–483
M. Dijkstra, J. M. Brader, R. Evans (1999) Phase behaviour and structure of model colloid-polymer mixtures. J. Phys.: Condensed Matter 11, pp. 10079–10106
M. Dijkstra, R. van Roij (2002) Entropic Wetting and Many-Body Induced Layering in a Model Colloid-Polymer Mixture. Phys. Rev. Letters 89, p. 208303 (1–4)
H. N. W. Lekkerkerker, W. C. K. Poon, P. N. Pusey, A. Stroobants, P. B.Warren (1992) Phase behaviour of colloid+polymer mixtures. Europhys. Lett. 20, pp. 559–564
M. Schmidt, H. Löwen, J. M. Brader, R. Evans (2000) Density Functional for a Model Colloid-Polymer Mixture. Phys. Rev. Letters 85, pp. 1934–1937
M. Schmidt, H. Löwen, J. M. Brader, R. Evans (2002) Density functional theory for a model colloid-polymer mixture: bulk fluid phases. J. Phys.: Condensed Matter 14, pp. 9353–9382
A. A. Louis, R. Finken, J. P. Hansen (2000) Crystallization and phase separation in nonadditive binary hard-sphere mixtures. Rev. Phys. E 61, pp. R1028–R1031
E. J. Meijer, D. Frenkel (1995) Computer simulation of colloid-polymer mixtures. Physica A 213, pp. 130–137
A. Johner, J. F. Joanny, S. Diez Orrite, J. Bonet Avalos (2001) Gelation and phase separation in colloid-polymer mixtures. Europhys. Letters 56, pp. 549–555
J. Dzubiella, A. Jusufi, C. N. Likos, C. von Ferber, H. Löwen, J. Stellbrink, J. Allgaier, D. Richter, A. B. Schofield, P. A. Smith,W. C. K. Poon, P. N. Pusey (2001) Phase separation in star polymer-colloid mixtures. Phys. Rev. E 64, p. 01040 (1–4)
A. Jusufi, J. Dzubiella, C. N. Likos, C. von Ferber, H. Löwen (2001) Effective interactions between star polymers and colloidal particles. J. Phys.: Condensed Matter 13, pp. 6177–6194
J. Dzubiella, C. N. Likos, H. Löwen (2002) Star-polymers as depleting agents of colloidal hard spheres. Europhys. Letters. 58, pp. 133–139
R. L. C. Vink, A. Jusufi, J. Dzubiella, C. N. Likos (2005) Bulk and interfacial properties in colloid-polymer mixtures. Phys. Rev. E 72, p. 030401 (1–4)
M. Fuchs, K. S. Schweizer (2001) Macromolecular theory of solvation and structure in mixtures of colloids and polymers. Phys. Rev. E 64, p. 021514 (1–19)
A. Hanke, E. Eisenriegler, S. Dietrich (1999) Polymer depletion effects near mesoscopic particles. Phys. Rev. E 59, pp. 6853–6878
H. Löwen (2001) Colloidal soft matter under external control. J. Phys.: Condensed Matter 13, pp. R415–R432
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Löwen, H. (2006). Computer Simulation of Colloidal Suspensions. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2. Lecture Notes in Physics, vol 704. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35284-8_7
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