2020
DOI: 10.1007/s13202-020-00940-2
|View full text |Cite
|
Sign up to set email alerts
|

Molecular simulation and microtextural characterization of quartz dissolution in sodium hydroxide

Abstract: 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 dissolution in NaOH were characterized using scanning electron microscopy. The so-called O-middle termination in the quartz tetrahedron structure, typified by a solitary exposed oxygen atom at the surface, is the most… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

0
12
0

Year Published

2021
2021
2024
2024

Publication Types

Select...
8
1

Relationship

0
9

Authors

Journals

citations
Cited by 30 publications
(12 citation statements)
references
References 37 publications
0
12
0
Order By: Relevance
“…The deduction of an effect of kinetics is supported by literature suggesting that the dissolution reaction kinetics of quartz in aqueous solutions may vary with crystallographic orientation (e.g. 32 34 . Kennedy 35 found that quartz cut with poles parallel to the c-axis (i.e.…”
Section: Discussionmentioning
confidence: 65%
“…The deduction of an effect of kinetics is supported by literature suggesting that the dissolution reaction kinetics of quartz in aqueous solutions may vary with crystallographic orientation (e.g. 32 34 . Kennedy 35 found that quartz cut with poles parallel to the c-axis (i.e.…”
Section: Discussionmentioning
confidence: 65%
“…As the pH increases from 8 to 12, the zeta potential of BP decreases from −20.83 mV to −45.17 mV, while that of QP decreases from −33.20 mV to −62.6 mV. In the solution, the silanol groups on the surface of QP undergo the following reactions [ 27 , 28 , 29 ]. ≡SiOH + H 3 O + ↔ ≡SiOH 2 + + H 2 O ≡SiOH + OH − ↔ ≡SiO − + H 2 O …”
Section: Resultsmentioning
confidence: 99%
“…Zhang et al, 2017). The DFT calculations and experimental data clearly show that exposure to NaOH affects the structure and reactivity of quartz (A. M. Ali et al, 2020).…”
Section: Introductionmentioning
confidence: 84%
“…9. When the reaction is controlled by diffusion, the apparent activation energy is in the range of 8 kJ/mol-20 kJ/mol; When the reaction is controlled by chemical reaction, the apparent activation energy is in the range of 40 kJ/mol-300 kJ/mol (Walsh et al, 2000;A. M. Ali et al, 2020).…”
Section: Kinetic Study On Alkali Dissolution Of Quartz By Counterionmentioning
confidence: 99%