Computer simulation of aggregation

Mackay, S.A. 1978. Computer simulations of aggregation in Dictyostelium discoideum. J. Cell ScL 33 1-16. 

In our studies, we consider several types of aggregated structures such as bispheres, linear chains, plane arrays on a plane rectangular lattice, compact and porous body-centered clusters embedded on the cubic lattice (bcc clusters, the porosity was simulated by random elimination of monomers), and random fractal aggregates (RF clusters). To generate RE clusters, a three-dimensional lattice model with Brownian or linear trajectories of both single particles and intermediate clusters was employed for computer simulations of aggregation process. At the initial time moment, = 50,000 particles are generated at... 

Self-similar behavior has also been observed in computer simulation of aggregation processes. Thus aggregates of colloidal particles in diffusion-limited aggregation processes have been found to display self-similar behavior (Meakin, 1983). 

Brown W D and Ball R C 1985 Computer simulation of chemically limited aggregation J. Phys. A Math. Gen. 18 L517-21... 

S. C. Ke, L. J. DeLucas, J. G. Harrison. Computer simulation of protein crystal growth using aggregates as the growth unit. J Phy D 57 1064, 1998. 

Figure 1. Computer simulation of the formation of clay tactoid by a process of aggregation of lCr particles. Ration length to thickness 9/1. In the three topmost diagrams each rectangle endorses a portion of the tactoid shown enlarged below, df is represented by the thickness of the line enclosing the sheets in contact. Adapted from ref. 6. N.B. With respect to the next section, the molar fraction xi consists of the water in the interlamellar space and in the closed spaces within the tactoid. The molar fraction xb is in a 10 A thick layer on the external contour of the tactoid.

An alternative quasiparticle description of the optical response is possible using the nonlinear exciton equations (NEE) (39). The response function is then represented in terms of one-exciton Green functions and exciton-exciton scattering matrix. Four coherent ultrafast 2D techniques have been proposed (16,17), and computer simulations of the 2D response were performed for model aggregates made out of a few two-level chromophores. 

For reliable application of the free volume concept of disperse systems one must have dependable methods of determination of the maximum packing fraction of the filler tpmax. Unfortunately, the possibility of a reliable theoretical calculation of its value, even for narrow filler fractions, seems to be problematic since there are practically no methods available for calculations for filler particles of arbitrary shape. The most reliable data are those obtained by computer simulation of the maximum packing fraction for spherical particles which give the value associated with possible particle aggregation, so that they are probable for fractions of small particle size. Deviations of particle shape is nearly cubic. At present the most reliable method of determination of [Pg.142]

Brown, W.D., and Ball, R.C. (1985). Computer simulation of chemically limited aggregation. J. Phys. A. 18, L517 L521. 

Computer simulations of a similar growth process, called reaction-limited cluster-cluster aggregation, have been performed (IS). This simulation... 

Parnas, H. L.A. Segel. 1978. A computer simulation of pulsatile aggregation in Dictyostelium discoideum. J. Theor. Biol. 71 185-207. 

J. D. Bloom, Computer Simulations of Protein Aggregation, Master s thesis. University of Cambridge (2002). 

Stoll, S. and Buffle, J. (1995). Computer simulations of coUoids and macromolecules. Aggregate formation. Chimia, 49, 300-307. 

Jullien, R., Botet, R. and Mors, P.M. (1987). Computer simulations of cluster-cluster aggregation. Faraday Discuss. Chem. Soc., 83, 125-127. 

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