Computer simulations particle growth

Computer simulations combined with experiments have also shown that one can deduce from the fractal dimension the nature of nucleation and growth of particles and what chemical and physical mechanisms control the formation of particle aggregates. We consider this briefly before proceeding to other topics. 

Cocks and Fernando (1982) undertook a detailed theoretical analysis and computer simulation of the growth of droplets on passing from ambient air to the conditions obtaining in the lung. Predicted patterns of growth are shown in Figure 13. The growth of particles of two initial... 

Using such information from AFM and TEM, in collaboration with computer simulation of the distribution of silicate monomers and oligomers in solution and the stability of different faces described in Sections 4.2.4 and 4.6.1, it should become possible to establish details of the growth mechanism on the a tomic scale. This could be important in preparing particles of desired sizes and shapes for specific applications. 

Coveney, P.V., Novik, K.E. Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics. Phys. Rev. E 54(5), 5134 (1996). doi 10.1103/PhysRevE.54.5134... 

Anderson MP, Grest GS, Doherty RD, Li K, Srolovitz DJ (1989) Inhibition of grain-growth by 2nd phase particles—3 dimensional Monte-Carlo computer simulations. Scr Metall 23 753-758... 

Computer Simulations of Particle-Inhibited Grain Growth... 

Brownian Dynamics computer simulations (30, 32) facihtate the study of IDC by ehm-inating other possible mechanisms of particle coarsening. Since IDC occurs when the depletion layers for adjacent particle overlap, a simple strategy for minimizing IDC is to shrink the radii of these depletion layers. Experimentally, this is accomplished by reducing the particle growth rate, as shown schematically in Figure 16.1.3 (middle and bottom). The... 

Coveney, P. V., and Novik, K. E. 1996. Computer Simulations of Domain Growth and Phase Separation in Two-Dimensional Binary Immiscible Fluids Using Dissipative Particle Dynamics, Phys. Rev. E 54 5134. 

The effect of hydrodynamic interactions on aggregation of colloidal particles may be rather essential and simulation results show that they constrain the growth of aggregates [63]. Computational simulation predicts that many-body hydrodynamic interactions between colloidal particle are able to reduce the sohd fraction required for percolation or gelation [64, 65]. The merging of clusters into condensed aggregate was observed at particle volume fracture p as low as 0.06-0.12 [64]. 

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