Molecular Simulation of Lithium Carbonate Reactive Vapor-Liquid Equilibria Using a Deep Potential Model

Keyphrases

• Deep Potential 100%
• Potential Model 100%
• Molecular Simulation 100%
• Lithium Carbonate 100%
• Vapor-liquid Equilibrium 100%
• Equilibrium Constant 60%
• First-principles 40%
• Partial Pressure of CO2 (pCO2) 40%
• Model Prediction 40%
• Vapor Phase 40%
• Liquid Volume 40%
• Dissociation 20%
• Density Functional Theory 20%
• Chemical Composition 20%
• Liquid Phase 20%
• Gas Phase 20%
• Vapor-liquid-solid 20%
• Thermodynamics 20%
• Machine Learning Models 20%
• Electron Density 20%
• System Size 20%
• Solution Behavior 20%
• Viscosity 20%
• Product Structure 20%
• Volume Ratio 20%
• Lithium Oxide 20%
• Dissociation Reaction 20%
• Comparing Models 20%
• Overall System 20%
• Liquid Phase Behavior 20%
• Multiphase Equilibria 20%

Material Science

• Carbon Dioxide 100%
• Molecular Simulation 100%
• Lithium 100%
• Density 66%
• Phase Composition 33%

Chemical Engineering

• Carbon Dioxide 100%
• Learning System 33%