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Size and distribution prediction for nanoparticles produced by microemulsion precipitation: A Monte Carlo simulation study

Andreas Voigt1,3, Dendy Adityawarman1 and Kai Sundmacher1,2

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A Monte Carlo simulation approach for BaSO4 nanoparticle precipitation in microemulsions has been applied to a semi-batch reactor experiment. The simulation includes two technical process parameters, the feed rate and the initial volume ratio of the two reactants. A set of experiments with different initial reactant concentrations of BaCl2 and K2SO4 showed a significant change in the particle size. It was compared to the simulated final particle size and with an adaptation of one internal parameter of the Monte Carlo simulation a good agreement between simulated and experimental data was achieved. Using this set of parameters the feed rate and the initial volume ratio is varied. It is shown how these process parameters influence the particle size and the size distribution. The simulation results may help in finding appropriate control parameters in a scale-up approach of the microemulsion technology for nanoparticle production.


PACS

61.46.-w Structure of nanoscale materials

81.20.Fw Sol-gel processing, precipitation

82.70.Kj Emulsions and suspensions

68.05.Gh Interfacial properties of microemulsions

81.16.Be Chemical synthesis methods

Subjects

Soft matter, liquids and polymers

Surfaces, interfaces and thin films

Condensed matter: structural, mechanical & thermal

Nanoscale science and low-D systems

Chemical physics and physical chemistry

Dates

Issue 7 (July 2005)

Received 20 December 2004, in final form 12 April 2005

Published 3 May 2005



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