Rheology of transient colloidal gels by Brownian dynamics computer simulation

Journal of Rheology

Volumn 43, Issue 1, 1999, Pages 219-244

  Lodge, J F M ^a,b   Heyes, D M ^a  

^a UNIVERSITY OF SURREY   (United Kingdom)

^b University of Delaware   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041746956     PISSN: 01486055     EISSN: None     Source Type: Journal    
DOI: 10.1122/1.550984     Document Type: Article

References (54)

1. Agarwal, R. and D. A. Kofke, "Thermodynamic and structural properties of model systems at solid-fluid coexistence. 2. Melting and sublimation of the Lennard-Jones system," Mol. Phys. 85, 43-59 (1995).
2. Atkins, P. W., Physical Chemistry (Oxford University Press, Oxford, 1996).
3. Bacon, D. and W. F. Anderson, "A fast algorithm for rendering space-filling molecule pictures," J. Mol. Graphics 6, 219-220 (1988).
4. Ball, R. C. and J. R. Melrose, "Lubrication breakdown in hydrodynamic simulations of concentrated colloids," Adv. Colloid Interface Sci. 59, 19-30 (1995).
5. Bos, T.A. and J. H. J. van Opheusden, "Brownian dynamics simulation of gelatin and again in interacting colloidal systems," Phys. Rev. E , 53, 5044-5050 (1996).
6. Brigham, E. O., The Fast Fourier Transform and its Applications (Prentice Hall, Englewood Cliffs, NJ, 1988).
7. Butler, B. D., H. J. M. Hanley, D. Hansen, and D. J. Evans, "Dynamic scaling in an aggregating 2D Lennard-Jones system," Phys. Rev. Lett. 74, 4468-4471 (1995).
8. Butler, B. D., H. J. M. Hanley, D. Hansen, and D. J. Evans, "Aggregation of a quenched Lennard-Jones system under shear," Phys. Rev. B 53, 2450-2459 (1996).
9. 60 molecules," Phys. Rev. Lett. 71, 1200-1203 (1993).
10. Coussaert, T. and M. Baus, "Making a (colloidal) liquid-A van der Waals approach," Phys. Rev. E 52, 862-869 (1995).
11. Cuvelier, G. and B. Launay, "Frequency-dependence of the viscoelastic properties of some physical gels near the gel point," Makromol. Chem., Macromol. Symp. 40, 23-31 (1990).
12. De Rooij, R., D. van den Ende, M. H. G. Duits, and J. Mellema, "Elasticity of weakly aggregating polystyrene latex dispersions," Phys. Rev. E 49, 3038-3049 (1994).
13. Derrida, B., D. Stauffer, H. J. Herrmann, and J. Vannimenus, "Transfer-matrix calculation of conductivity in 3D-dimensional random resistor networks at percolation threshold," J. Phys. (France) Lett. 44, L701-L706 (1983).
14. Duh, D. and D. Henderson, "Integral-equation theory for Lennard-Jones fluids - The bridge function and applications to pure fluids and mixtures," J. Chem. Phys. 104, 6742-6754 (1996).
15. Ermak, D. L., "A computer simulation of charged particles in solution. I. Technique and equilibrium properties," J. Chem. Phys. 62, 4189-4196 (1975).
16. Faers, M. A. and P. F. Luckham, "Effect of the steric stabilizing layer on the phase behavior and rheology of small polystyrene latex dispersions induced by changes to the concentration of non-adsorbing hydroxyethylcellulose," Langmuir 13, 2922-2931 (1997).
17. Ferry, J. D., Viscoelastic Properties of Polymers, 3rd ed. (Wiley, New York, 1980), p. 64.
18. Gast, A. P., C. K. Hall, and W. B. Russel, "Polymer-induced phase separations in nonaqueous colloidal suspensions," J. Colloid Interface Sci. 96, 251-267 (1983).
19. Hasegawa, M., "Variational perturbation calculations for the phase diagram of systems with short-ranged interactions," J. Chem. Phys. 108, 208-217 (1998).
20. Hasegawa, M. and K. Ohno, "The dependence of the phase diagram on the range of the attractive intermolecular forces," J. Phys.: Condens. Matter 9, 3361-3370 (1997).
21. Heyes, D. M. and J. R. Melrose, "Brownian Dynamics simulations of model hard-sphere suspensions," J. Non-Newtonian Fluid Mech. 46, 1-28 (1993).
22. Heyes, D. M. and P. J. Aston, "Elastic moduli of simple fluids with steeply repulsive potentials," J. Chem. Phys. 100, 2149-2153 (1994).
23. Heyes, D. M., P. J. Mitchell, P. B. Vissher, and J. R. Melrose, "Brownian Dynamics simulations of concentrated dispersions: Viscoelasticity and near-Newtonian behavior," J. Chem. Soc., Faraday Trans. 90, 1133-1141 (1994).
24. Heyes, D. M. and A. C. Branka, "Brownian Dynamics simulations of self-diffusion and shear viscosity of near-hard-sphere colloids," Phys. Rev. E 50, 2377-2380 (1994).
25. Heyes, D. M. and A. C. Branka, "Monte Carlo as Brownian dynamics," Mol. Phys. 94, 447-454 (1998).
26. Heyes, D. M., The Liquid State: Applications of Molecular Simulations (Wiley, Chichester, 1997).
27. Hodgson, D. F. and E. J. Amis, "Dynamic viscoelasticity during a sol-gel reaction," Phys. Rev. A 41, 1182-1185 (1990).
28. Kofke, D. A., "Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line," J. Chem. Phys. 98, 4149-4162 (1993).
29. Liang, W., T. F. Tadros, and P. F. Luckham, "Investigations of depletion flocculation of concentrated sterically stabilized latex dispersions using viscoelastic measurements and microscopy," J. Colloid Interface Sci. 158, 152-158 (1993).
30. Lodge, J. F. M. and D. M. Heyes, "Brownian dynamics simulations of domain growth in Lennard-Jones fluids," Mol. Simul. 18, 155-177 (1996).
31. Lodge, J. F. M. and D. M. Heyes, "Brownian dynamics simulations of Lennard-Jones gas/liquid phase separation and its relevance to gel formation," J. Chem. Soc., Faraday Trans. 93, 437-448 (1997).
32. Lodge, J. F. M. and D. M. Heyes, "Structural evolution of phase-separating model colloidal liquids by Brownian dynamics computer simulation," J. Chem. Phys. 109, 7567-7577 (1988).
33. MacGowan, D. and D. M. Heyes, "Large timesteps in molecular dynamics simulations," Mol. Simul. 1, 227-297 (1988).
34. Marrucci, G., "Nonlinearities in polymer rheology," J. Phys.: Condens. Matter 6, A305-A309 (1994).
35. Melrose, J. R. and D. M. Heyes, "Simulations of electrorheological and particle mixture suspensions - Agglomerate and layer structures," J. Chem. Phys. 98, 5873-5886 (1993a).
36. Melrose, J. R. and D. M. Heyes, "Rheology of weakly flocculated suspensions: Simulation of agglomerates under shear," J. Colloid Interface Sci. 157, 227-234 (1993b).
37. Merritt, G. A. and M. E. P. Murphy, "RASTER3D version-2.0 - A program for photorealistic molecular graphics," Acta Crystallogr., Sect. D: Biol. Crystallogr. 50, 869-873 (1994).
38. Michon, C., G. Cuvelier, and B. Launay, "Concentration-dependence of the critical viscoelastic properties of gelatin at the gel point," Rheol. Acta 32, 94-103 (1993).
39. Phung, T. N., J. F. Brady, and G. Bossis, "Stokesian dynamics simulation of Brownian suspensions," J. Fluid Mech. 313, 181-207 (1996).
40. Poon, W. C. K., A. D. Pirie, and P. N. Pusey, "Gelation in colloid-polymer mixtures," Faraday Discuss. 101, 65-76 (1995).
41. Potanin, A. A., R. de Rooij, D. van den Ende, and J. Mellema, "Microrheological modeling of weakly aggregated dispersions," J. Chem. Phys. 102, 5845-5853 (1995).
42. Seaton, N. A. and E. D. Glandt, "Aggregation and percolation in a system of adhesive spheres," J. Chem. Phys. 86, 4668-4677 (1987).
43. Shih, W., W. Y. Shih, S. Kim, J. Liu, and I. A. Aksay, "Scaling behavior of the elastic properties of colloidal gels," Phys. Rev. A 42, 4772-4779 (1990).
44. Takahashi, M., K. Yokoyama, T. Masuda, and T. Takigawa, "Dynamic viscoelasticity and critical exponents in sol-gel transition of an end-linking polymer," J. Chem. Phys. 101, 798-804 (1994).
45. Tanner, R. I., Engineering Rheology (Oxford University Press, New York, 1992).
46. Tejero, C. F., A. Daanoun, H. N. W. Lekkerkerker, and M. Baus, "Phase-diagrams of simple fluids with extreme pair potentials," Phys. Rev. Lett. 73, 752-755 (1994).
47. Tejero, C. F., A. Daanoun, H. N. W. Lekkerkerker, and M. Baus, "Isostructural solid-solid transition of (colloidal) simple fluids" Phys. Rev. E 51, 558-566 (1995).
48. Verduin, H. and J. K. G. Dhont, "Phase-diagram of a model adhesive hard-sphere dispersion," J. Colloid Interface Sci. 172, 425-437 (1995).
49. Verhaegh, N. A. M. Ph.D. thesis, Universiteit Utrecht (1996).
50. Verhaegh, N. A. M., D. Asnaghi, H. N. W. Lekkerkerker, M. Giglio, and L. Cipelletti, "Transient gelation by spinodal decomposition in colloid-polymer mixtures," Physica A 242, 104-118 (1997).
51. Verhaegh, N. A. M., J. S. van Duijneveldt, J. K. G. Dhont, and H. N. W. Lekkerkerker, "Fluid-fluid phase-separation in colloid-polymer mixtures studied with small-angle light-scattering and light microscopy," Physica A 230, 409-436 (1996).
52. Whittle M. and E. Dickinson, "Brownian dynamics simulation of gelation in soft sphere systems with irreversible bond formation," Mol. Phys. 90, 739-757 (1997).
53. Yuen, C. K. and D. Frasier, Digital Spectral Analysis (CSIRO, Melbourne, Australia, 1979).
54. Zwanzig, R. and R. D. Mountain, "High-frequency elastic moduli of simple fluids," J. Chem. Phys. 43, 4464-4471 (1965).