Population Balance Equation Modeling of Precipitation

An example of population balance equation modeling of precipitation from liquid solutions

The codes implement the population balance equation (PBE) modeling of precipitation from liquid solutions with calcium-silicate-hydrate (C-S-H) an example. Primary nucleation, true catalytic secondary nucleation, and molecular growth are included. PBE is solved using a quadrature method of moments with three nodes and is coupled to a thermodynamic equilibrium speciation code for the estimation of temporal supersaturation ratio. The codes are fully commented line by line and additional details can be accessed through our publication:
M. R. Andalibi, A. Kumar, B. Srinivasan, P. Bowen, K. Scrivener, C. Ludwig and A. Testino, J. Mater. Chem. A, 2017, DOI: 10.1039/C7TA08784E.

http://pubs.rsc.org/en/content/articlelanding/2017/ta/c7ta08784e#!divAbstract

Please cite this article if you use the simulation framework and/or the codes.

PBE simulation integrated with an optimization code in order to estimate the value of unknown model parameters as well as codes for equilibrium speciation calculations considering solid/liquid equilibrium are also available both in the supporting information of the article or upon request.