Calculation of the stability ratio of suspensions using Emulsion Stability Simulations

According to Emulsion Stability Simulations (ESS), the flocculation of two non-deformable drops in the primary minimum of the interaction potential, necessarily leads to their coalescence. This property is used here for the evaluation of the stability ratio (W) of solid particles, interacting with the same inter-particle potential as the one of non-deformable droplets. Two different methodologies are used. The first one consists on the repeated evaluation of the coalescence time between two particles. The second one consists on the estimation of the time required for a decrease in the number of aggregates of the dispersion equal to n0/2 (where n0 is the initial number of aggregates). The results of the simulations are contrasted with the stability ratio of an anionic latex suspension subject to several ionic strengths (400-1000 mM). The first methodology is far more efficient for the evaluation of W although it misses the development of the aggregates and their growth. Absolute coagulation rates (kf) can also be obtained using one N-particle simulation for the calculation of the fast flocculation rate (kffast), and several two-particle simulations for the evaluation of W(kfslow=kffast/W). This combined procedure is also more efficient than the N-particle evaluation of kfslow.