Montecarlo simulation study of acid coagulation in casein suspensions

In this work, we present a computer simulation study of the acid coagulation of casein micelles. For different conditions, we predict the acidity (pH value) at which aggregation transition occurs. The interaction potential implemented consists of three contributions, the electrostatic repulsion, the steric repulsion between the polyelectrolyte brush formed by the $kappa$-casein exposed segments, and finally, the van der Waals attraction which is responsible for aggregation when the repulsive terms are attenuated by the positive ions present in the system. In our simulations, we employed the radial distribution function as an indicator of the aggregation transition. The predictions of the model, are summarized in diagrams showing the dependence of the isoelectric point on temperature, micelles volume fraction and surface concentration of $kappa$-casein.