Modelling the effect of precipitation inhibitors on the crystallization process from well mixed over-saturated solutions in gypsum based on Langmuir-Volmer flux correction

Numerical simulations of the effect of precipitation inhibitors on the crystallization process are carried out at two different levels of analysis: at the scale of the crystal seeds (referred here as the micro-scale) and also a macro analysis of the crystallization process of an aqueous over-saturated solution, which is kept continuously in motion (stirring experiment). The micro analysis is considered in order to define a constitutive equation that relates the effect of the inhibitor upon the saturation index of the mixture, to be used in the macro simulation of the stirring experiments. The developed numerical code can be used to simulate crystal formation and growth from natural and artificial solutions. The present numerical study has revealed several new features of the effect of precipitation inhibitors on the crystallization process, which are difficult to observe experimentally.