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|
|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|
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