Work

An SN2 reaction mechanism for hydrolysis of siloxane linkages and the implications for dissolution of quartz

Year: 2025

Type: article

Abstract: Density functional theory calculations were performed on an extended silicate molecular cluster to test the hypothesis that inclusion of Cl − to charge-balance protonation of bridging O atoms in siloxane bridges, and H 2 O attack via an S N 2 mechanism, could explain the observed activation energy of quartz dissolution under acidic conditions. The results are consistent with this hypothesis and help explain the observed solution pH and salt-dependence of quartz dissolution rates.

Source: Scientific Reports

DOI: 10.1038/s41598-025-26643-4

Authors: Heath D. Watts, James D. Kubicki

Institution: The University of Texas at El Paso

Language: English

Topic: High-pressure geophysics and materials

Subfield: Geophysics

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,690

Funders: U.S. Department of Energy, National Energy Research Scientific Computing Center, Office of Science, University of Texas at El Paso