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Journal of Chemical Physics / Volume 135 / Issue 23 / ARTICLES / Polymers and Complex Systems

J. Chem. Phys. 135, 234902 (2011); http://dx.doi.org/10.1063/1.3669649 (12 pages)

Percolation, phase separation, and gelation in fluids and mixtures of spheres and rods

Ryan Jadrich1,2 and Kenneth S. Schweizer1,2,3

1Department of Chemistry, University of Illinois, Urbana, Illinois 61801, USA
2Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, USA
3Department of Materials Science, University of Illinois, Urbana, Illinois 61801, USA

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(Received 16 September 2011; accepted 21 November 2011; published online 21 December 2011)

The relationship between kinetic arrest, connectivity percolation, structure and phase separation in protein, nanoparticle, and colloidal suspensions is a rich and complex problem. Using a combination of integral equation theory, connectivity percolation methods, naïve mode coupling theory, and the activated dynamics nonlinear Langevin equation approach, we study this problem for isotropic one-component fluids of spheres and variable aspect ratio rigid rods, and also percolation in rod-sphere mixtures. The key control parameters are interparticle attraction strength and its (short) spatial range, total packing fraction, and mixture composition. For spherical particles, formation of a homogeneous one-phase kinetically stable and percolated physical gel is predicted to be possible, but depends on non-universal factors. On the other hand, the dynamic crossover to activated dynamics and physical bond formation, which signals discrete cluster formation below the percolation threshold, almost always occurs in the one phase region. Rods more easily gel in the homogeneous isotropic regime, but whether a percolation or kinetic arrest boundary is reached first upon increasing interparticle attraction depends sensitively on packing fraction, rod aspect ratio and attraction range. Overall, the connectivity percolation threshold is much more sensitive to attraction range than either the kinetic arrest or phase separation boundaries. Our results appear to be qualitatively consistent with recent experiments on polymer-colloid depletion systems and brush mediated attractive nanoparticle suspensions.

© 2011 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. THEORY
    1. Particle models and structural correlations
    2. Connectedness RISM and percolation
    3. Naïve MCT and NLE theory
  3. EQUILIBRIUM PAIR STRUCTURE
  4. PERCOLATION
    1. Rod-sphere mixtures
    2. Dependence of rod percolation on aspect ratio and attraction
  5. KINETIC ARREST, PERCOLATION, AND DEMIXING OF SPHERES: MODEL CALCULATIONS AND COMPARISON TO EXPERIMENT AND SIMULATION
    1. Dynamics background
    2. Contacts and percolation
    3. Model calculations
    4. Comparison to experiments
    5. Comparison to simulations
  6. KINETIC ARREST, PERCOLATION, AND DEMIXING: RODS
    1. Five-site rods
    2. Forty site rods
  7. SUMMARY AND CONCLUDING REMARKS

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KEYWORDS and PACS

Keywords

bonds (chemical), colloids, gels, nanoparticles, percolation, phase separation, reaction kinetics, suspensions

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3669649

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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