Abstract
Dissolution of plaster grains and precipitation of gypsum needles are described on a mesoscopic scale in view of the optimization of reaction kinetics when gypsum needles are used as additives. We update a kinetic Monte Carlo algorithm and introduce efficient geometrical tests to check the contacts between monocrystals. The simulations successfully reproduce the acceleration of the reaction in the presence of added gypsum needles. We develop an analytical model which neglects steric hindrance during needle growth and determine the optimum initial length of added needles leading to the shortest induction time. The analytical prediction remarkably agrees with the simulation results. The simulation tool is valuable to predict the dynamics at the end of the reaction, when the interactions between cumbersome needles prevail.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
