Population Balance Equation Modeling of Precipitation

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.