Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH

Keyphrases

• Silica 100%
• Dissolution Reaction 100%
• Terraces 100%
• Kink 100%
• Ab Initio Study 100%
• Precipitation Reaction 100%
• Dissolution Rate 60%
• Hydrolysis 40%
• Barrier Height 40%
• Dissolution Process 40%
• Si-OH 40%
• Mineral Surface 40%
• 3-group 40%
• Topological Features 20%
• Density Functional Calculations 20%
• Surface Roughness 20%
• Reaction Mechanism 20%
• Deprotonated 20%
• Ambient Conditions 20%
• Backreaction 20%
• PH Range 20%
• Precipitation Rate 20%
• Density Functional 20%
• Height Data 20%
• Reaction Profile 20%
• Ab Initio Density Functional Theory 20%
• Reaction Barrier 20%
• Precipitation Process 20%
• P-base 20%
• M05-2X 20%

Material Science

• Density 100%
• Enzymatic Hydrolysis 100%
• Surface Roughness 50%
• Surface (Surface Science) 50%

Engineering

• Back Reaction 50%