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A distribution kinetics model of self-assembly: Effects of coalescence and solvent evaporation

Madras, Giridhar and McCoy, Benjamin J (2006) A distribution kinetics model of self-assembly: Effects of coalescence and solvent evaporation. In: Journal of Crystal Growth, 286 (1). pp. 131-136.

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Self-assembly from a metastable state often occurs by nucleation accompanied by nanoparticle growth and eventually by Ostwald coarsening. By developing a population balance model for growth and coarsening, we here determine the dynamics of self-assembled cluster size distributions (CSDs) in two or three dimensions. The governing equations are solved numerically and the asymptotic coarsening stage reveals a power-law increase in average particle mass as the CSD evolves to a (minimum) polydispersity index of unity for both 2-D and 3-D phase transitions. By incorporating solvent evaporation to simulate drying-mediated self-assembly of nanoparticles, the model yields a temporal power law relationship with exponent 1/4 for the average 2-D domain radius, in agreement with experimentally observed behavior. The power law relationships can also be obtained by varying the coalescence rate and the power on mass in rate coefficient expressions.

Item Type: Journal Article
Publication: Journal of Crystal Growth
Publisher: Elsevier Science BV
Additional Information: Copyright for this article belongs to Elsevier.
Keywords: A1. Coalescence; A1. Computer simulations; A1. Crystal growth and dissolution; A1. Crystal size distributions; A1. Drying mediated synthesis; A1. Growth models; A1. Kinetics; A1. Moment and numerical solutions; A1. Phase transformation; A1. Population balance equations; A2. Evaporation-induced self-assembly; B2. Nanoparticles
Department/Centre: Division of Mechanical Sciences > Chemical Engineering
Date Deposited: 24 Jan 2006
Last Modified: 19 Sep 2010 04:23
URI: http://eprints.iisc.ac.in/id/eprint/5215

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