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Monte Carlo simulation of aggregate morphology for simultaneous coagulation and sintering

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Title Monte Carlo simulation of aggregate morphology for simultaneous coagulation and sintering
 
Creator SCHMID, HJ
TEJWANI, S
ARTELT, C
PEUKERT, W
 
Subject computer-simulation
primary particles
growth
coalescence
evolution
clusters
model
aerosol process simulation
aggregate structure formation
coagulation and sintering
fractal dimension
radius of gyration
 
Description A model for simulation of the three-dimensional morphology of nano-structured aggregates formed by concurrent coagulation and sintering is presented. Diffusion controlled cluster-cluster aggregation is assumed to be the prevailing coagulation mechanism which is implemented using a Monte-Carlo algorithm. Sintering is modeled as a successive overlapping of spherical primary particles, which are allowed to grow as to preserve overall mass. Simulations are characterized by individual ratios tau of characteristic collision to fusion time. A number of resulting aggregate-structures is displayed and reveals structure formation by coagulation and sintering for different values of tau. These aggregates are described qualitatively and quantitatively by their mass fractal dimension D-f and radius of gyration. The fractal dimension increases from 1.86 for pure aggregation to approximate to 2.75 for equal characteristic time scales. As sintering turns out to be more and more relevant, increasingly compact aggregates start to form and the radius of gyration decreases significantly. The simulation results clearly reveal a strong dependence of the fractal dimension on the kinetics of the concurrent coagulation and sintering processes. Considering appropriate values of D-f in aerosol process simulations may therefore be important in many cases.
 
Publisher SPRINGER
 
Date 2011-08-29T15:37:30Z
2011-12-26T12:58:39Z
2011-12-27T05:48:59Z
2011-08-29T15:37:30Z
2011-12-26T12:58:39Z
2011-12-27T05:48:59Z
2004
 
Type Article
 
Identifier JOURNAL OF NANOPARTICLE RESEARCH, 6(6), 613-626
1388-0764
http://dx.doi.org/10.1007/s11051-004-2161-x
http://dspace.library.iitb.ac.in/xmlui/handle/10054/12122
http://hdl.handle.net/10054/12122
 
Language en