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. Author manuscript; available in PMC: 2013 Mar 7.
Published in final edited form as: Annu Rev Chem Biomol Eng. 2012 Feb 23;3:103–127. doi: 10.1146/annurev-chembioeng-062011-080930

Figure 1.

Figure 1

Overview of the time and length scales for continuum, mesoscale, molecular dynamics (MD), and quantum mechanics models of the aerosol synthesis of materials. The upper boundary of each model is defined mostly by computational demands, whereas the lower boundary is fuzzier, and areas can overlap. The arrows between the models indicate exchange of information between them. Insets show representative model results of (a) the effect of mixing aerosol and precursor vapor on in-situ coating of flame-made TiO2, Ag, or Fe2O3 nanoparticles by SiO2 films (58); (b) SiO2 particle formation in diffusion flames (117); (c) agglomerate evolution by sintering to aggregates and eventually to compact particles (84); (d) the coagulation of highly concentrated aerosols (85); (e) an MD model of TiO2 nanoparticle sintering from surface to grain boundary diffusion and gradual attainment of bulk sintering rates at approximately 5 nm in diameter (87); and (f) an MD model of nanodroplet evaporation (90). Panel a reprinted and adapted with permission from AIChE Journal, copyright © 2011 AIChE. Panels b, c, and e reprinted and adapted with permission from Industrial and Engineering Chemistry Research (panel b), Langmuir (panel c), and Journal of Physical Chemistry C (panel e), copyright © 2011 American Chemical Society.