The dissolution of metal carbonate precipitation under the external electric and magnetic fields: reactive force field molecular dynamics simulation

Abstract The dissolution of metal carbonates holds a pivotal role in diverse industrial processes, environmental occurrences, and geological formations. Grasping the fundamental mechanisms underlying these processes is imperative for enhancing industrial applications and mitigating environmental impacts. Herein, we undertake a thorough investigation employing reactive forcefieldmolecular dynamics simulations to delve into the dissolution process of metal carbonates. These simulations afford profound insights into the mechanisms and kinetics governing the process across various conditions, encompassing temperature, acidity, and external electric and magnetic fields. Although temperature itself exerts a limited influence, the study reveals a synergistic enhancement of metal carbonate dissolution kinetics when temperature is combined with static electric and magnetic fields. Our revelations offer enlightening perspectives on the intricate interplay of factors shaping dissolution processes, laying the foundation for future inquiries in this domain.