Molecular simulation and microtextural characterization of quartz dissolution in sodium hydroxide

• Main Authors: Ali, A.M., Yahya, N., Mijinyawa, A., Kwaya, M.Y., Sikiru, S.
• Format: Article
• Published: Springer 2020
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087354448&doi=10.1007%2fs13202-020-00940-2&partnerID=40&md5=f167a153cde22d372415509ecb122820; http://eprints.utp.edu.my/29917/

This study uses empirical experimental evidence and Material Studio simulations to explain the interaction of sodium hydroxide (NaOH) with quartz. Density functional theory (DFT) calculations were carried out using the Cambridge Serial Total Energy Package. In addition, quartz grains subjected to di...