Inhibition of calcium carbonate nucleation and crystallization by carboxymethyl dextran: Experiments and molecular dynamics simulations

Abstract

Fouling causes huge economic losses for industrial process. In this work, experimental and molecular dynamics simulation approaches were used to carefully examine the scale inhibitory effects of carboxymethyl dextran (CMD) on the nucleation and crystallization process of calcium carbonate. The findings of the experiment demonstrated that CMD could significantly inhibit calcium carbonate's crystallization and nucleation processes. Moreover, an increase in the CMD concentration prolonged the induction period of calcium carbonate nucleation, and led to an increase in the critical conductivity value, inhibition effect on the nucleation process, and scale inhibition efficiency. The simulation results demonstrated the presence of strong interactions between the calcium ions in solution and the carboxyl groups of CMD. The probability and strength of calcium and carbonate ions adsorbing to the solution's surface decreased as the CMD concentration rose. Adsorption probability and strength of calcium and carbonate ions in the solution declined as CMD concentration rose, tightly agglomerated calcium carbonate gradually dispersed into small clusters and ions, and scale inhibition effectiveness improved. The experimental results were found to be in good agreement with the simulation results.