Surface Reactivity and Leaching of a Sodium Silicate Glass under an Aqueous Environment: A ReaxFF Molecular Dynamics Study

Chemical Compounds

• Silicate Glass 83%
• Sodium Silicate 81%
• Leaching 61%
• Simulation 43%
• Environment 38%
• Silanol 37%
• Sodium Atom 32%
• Surface Chemistry 31%
• Dioxygen 24%
• Proton 22%
• Surface 21%
• Ion 20%
• Residence Time 17%
• Surface Structure 16%
• Ion Pair 15%
• Multicomponent Reaction 14%
• Compound Mobility 13%
• Molecular Dynamics 12%
• Time 12%
• Length 10%
• Cation 9%
• Modification 9%
• Purity 8%

Engineering & Materials Science

• Leaching 82%
• Silicates 78%
• Molecular dynamics 76%
• Sodium 70%
• Glass 54%
• Ions 41%
• Water 37%
• Surface chemistry 29%
• Oxygen 27%
• Protons 27%
• Protonation 20%
• Computer simulation 18%
• Chemical modification 16%
• Ion exchange 15%
• Positive ions 14%
• Surface structure 13%
• Silica 11%

Physics & Astronomy

• sodium silicates 100%
• leaching 89%
• reactivity 68%
• molecular dynamics 49%
• glass 39%
• water 38%
• sodium 30%
• ions 26%
• oxygen 20%
• chemistry 19%
• simulation 17%
• protons 14%
• interactions 13%
• silicates 11%
• cations 9%
• silicon dioxide 8%