Reactive Ensemble Monte Carlo Simulations of Silica Polymerization That Yield Zeolites and Related Crystalline Microporous Structures

Chemical Compounds

• Monte Carlo Method 88%
• Statistical Ensemble 82%
• Nanoporosity 77%
• Micro Porosity 75%
• Zeolite 63%
• Amorphous Material 57%
• Bulk Modulus 56%
• Simulation 52%
• Polymerization Reaction 49%
• Crystal Structure 41%
• Energy Barrier 39%
• Equilibrium Constant 36%
• Reaction Yield 33%
• Gibbs Free Energy 31%
• Condensation 30%
• Crystallization 29%
• Phosphate 27%
• Gel 25%
• Hydrolysis 25%
• X-Ray 25%
• Nanoparticle 20%

Engineering & Materials Science

• Zeolites 100%
• Polymerization 93%
• Crystalline materials 87%
• Silica 85%
• Equilibrium constants 21%
• Energy barriers 21%
• Silica nanoparticles 21%
• Silica gel 19%
• Self assembly 18%
• Crystal structure 17%
• Polymorphism 17%
• Hydrolysis 16%
• Free energy 16%
• Phosphates 15%
• Discrete Fourier transforms 15%
• Crystallization 15%
• Electronic data interchange 14%
• Condensation 13%
• Crystals 13%
• X rays 12%
• Elastic moduli 11%

Physics & Astronomy

• zeolites 94%
• polymerization 78%
• silicon dioxide 63%
• replicas 44%
• simulation 31%
• silica gel 18%
• hydrolysis 15%
• self assembly 14%
• bulk modulus 14%
• phosphates 13%
• condensation 12%
• assembly 11%
• free energy 11%
• crystal structure 10%
• crystallization 10%
• nanoparticles 9%
• energy 8%
• crystals 6%
• x rays 6%