Predicting Calcite Crystallization And Inhibition Kinetics At Up To 175 Degrees C Using A New Theoretical Inhibition Model

Calcite crystallization happens ubiquitously in various natural and industrial processes. To more accurately predict and control these processes, a theoretical and quantitative understanding of calcite crystallization and inhibition is required. This study developed a new theoretical model to quantify inhibitor impacts as the changes on molar volume (a(V)) and Gibbs free energy (a(G)) based on the classical nucleation theory (CNT). This model was adopted to predict the induction times of calcite crystallization with or without the presence of ten commonly used crystallization inhibitors from 4 to 175 degrees C under different calcite supersaturation, inhibitor concentration, and Ca/CO3 ratios. The interfacial energy between calcite and water, the effective diffusion coefficient, and the two inhibition parameters for each of the ten inhibitors were generated. The good agreement between the predicted and measured induction times of calcite crystallization and inhibition indicates the reliability and accuracy of this model. This study gives an example of how to quantitatively analyze mineral crystallization and inhibition kinetics. The new model used in this study shows wide potential applications in various disciplines, including membrane fouling control, drug purification, and mineral scale control in the oil and gas industry, to mention a few.