Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers

Keyphrases

• Atomistic Model 33%
• Computational Model 33%
• Condensation 33%
• Cooperative Mechanism 33%
• Dilute Solution 33%
• Explicit Solvent Model 33%
• Hexagonal Liquid Crystal 33%
• Level Process 33%
• Levels of Realism 33%
• MCM-41 66%
• Mechanism Synthesis 33%
• Mesophase 33%
• Mesophase Structure 66%
• Mesophases 33%
• Mesoporous Silica 100%
• Modeling Results 33%
• Multiply Charged 33%
• Multiscale Simulation 33%
• Nanoporous 33%
• Periodic Mesoporous Silica 33%
• Phase Separate 33%
• Quantum Mechanical Calculations 33%
• Repulsion 33%
• Silica 100%
• Silica Oligomer 100%
• Simulation Strategy 33%
• Spontaneous Formation 33%
• Surfactant 66%
• Surfactant Solution 33%
• Synthesis Conditions 33%
• Tailored Design 33%
• Template Synthesis 100%
• Theoretical Understanding 33%

Material Science

• Liquid Crystal 16%
• Mesoporous Silica 100%
• Micelle 16%
• Nanoporous Material 16%
• Silicon Dioxide 100%
• Surface Active Agent 50%

Chemical Engineering

• Oligomer 100%
• Surfactant 100%