Toward the Understanding of Stress-Induced Mineral Dissolution via Molecular Scale Simulations
Yubing Ouyang, Shujian Chen, Weiqiang Chen, Lihai Zhang, Stephan Matthai, Wenhui Duan
JOURNAL OF PHYSICAL CHEMISTRY C | AMER CHEMICAL SOC | Published : 2020
Stress-induced mineral dissolution at contacts is a critical geophysical process in a broad spectrum of phenomena such as earthquake slip weakening, petroleum migration, and rock deformation. However, there is limited understanding of how this geophysical process originates from the grain-to-grain contacts on a nanoscale. In this study, we simulated the contact process of two quartz asperities in water and present a specially designed molecular dynamics (MD)-based scheme to quantify the dissolution tendency at contacts. Our results suggest that a water layer between the two asperities persists even when the quartz crystals are highly deformed. The MD simulation allowed us to evaluate the the..View full abstract
The authors are grateful for the financial support of the Australian Research Council to conduct this research.