Structure and rheology of colloidal particle gels: insight from computer simulation. 2013

Eric Dickinson
School of Food Science and Nutrition, University of Leeds, Leeds LS2 9JT, UK. Electronic address: E.Dickinson@leeds.ac.uk.

A particle gel is a network of aggregated colloidal particles with soft solid-like mechanical properties. Its structural and rheological properties, and the kinetics of its formation, are dependent on the sizes and shapes of the constituent particles, the volume fraction of the particles, and the nature of the interactions between the particles before, during and after gelation. Particle gels may be permanent or transient depending on whether the colloidal forces between the aggregating particles lead to irreversible bonding or weak reversible interactions. With short-range reversible interactions, network formation is typically associated with phase separation or kinetic arrest due to particle crowding. Much existing knowledge has been derived from computer simulations of idealized model systems containing spherical particles interacting with well-defined pair potentials. The status of current progress is reviewed here by summarizing the underlying methodology and key findings from a range of simulation approaches: Monte Carlo, molecular dynamics, Brownian dynamics, Stokesian dynamics, dissipative particle dynamics, multiparticle collision dynamics, and fluid particle dynamics. Then it is described how the technique of Brownian dynamics simulation, in particular, has provided detailed insight into how different kinds of bonding and weak reversible interactions can affect the aggregate fractal structure, the percolation behaviour, and the small-deformation rheological properties of network-forming colloidal systems. A significant ongoing development has been the establishment and testing of efficient algorithms that are able to capture the subtle dynamic structuring effects that arise from effects of interparticle hydrodynamic interactions. This has led to an appreciation recently of the potentially important role of these particle-particle hydrodynamic effects in controlling the evolving morphology of simulated colloidal aggregates and in defining the location of the sol-gel phase boundary.

UI MeSH Term Description Entries
D009010 Monte Carlo Method In statistics, a technique for numerically approximating the solution of a mathematical problem by studying the distribution of some random variable, often generated by a computer. The name alludes to the randomness characteristic of the games of chance played at the gambling casinos in Monte Carlo. (From Random House Unabridged Dictionary, 2d ed, 1993) Method, Monte Carlo
D010316 Particle Size Relating to the size of solids. Particle Sizes,Size, Particle,Sizes, Particle
D003102 Colloids Two-phase systems in which one is uniformly dispersed in another as particles small enough so they cannot be filtered or will not settle out. The dispersing or continuous phase or medium envelops the particles of the discontinuous phase. All three states of matter can form colloids among each other. Hydrocolloids,Colloid,Hydrocolloid
D005782 Gels Colloids with a solid continuous phase and liquid as the dispersed phase; gels may be unstable when, due to temperature or other cause, the solid phase liquefies; the resulting colloid is called a sol.
D012212 Rheology The study of the deformation and flow of matter, usually liquids or fluids, and of the plastic flow of solids. The concept covers consistency, dilatancy, liquefaction, resistance to flow, shearing, thixotrophy, and VISCOSITY. Flowmetry,Velocimetry,Velocimetries
D013499 Surface Properties Characteristics or attributes of the outer boundaries of objects, including molecules. Properties, Surface,Property, Surface,Surface Property
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular
D056004 Molecular Dynamics Simulation A computer simulation developed to study the motion of molecules over a period of time. Molecular Dynamics Simulations,Molecular Dynamics,Dynamic, Molecular,Dynamics Simulation, Molecular,Dynamics Simulations, Molecular,Dynamics, Molecular,Molecular Dynamic,Simulation, Molecular Dynamics,Simulations, Molecular Dynamics

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