High-throughput molecular simulations reveal the origin of ion free energy barriers in graphene oxide membranes

Chemistry

• Graphene Oxide 83%
• Permeation 50%
• K+ 50%
• Gibbs Free Energy 33%
• Energy Barrier 33%
• Desalination 33%
• Procedure 16%
• Structure 16%
• Water Type 16%
• Molecule 16%
• Aqueous Solution 16%
• Salt 16%
• Microstructure 16%
• Ion 16%
• Particle Size 16%
• Molecular Dynamics 16%
• Dehydration 16%
• Pore Size 16%
• Molecular Modeling 16%
• Ion 16%

Material Science

• Membrane 100%
• Material 33%
• Potassium Ion 33%
• Solution 16%
• Molecular Simulation 16%

Chemical Engineering

• Gibbs Free Energy 33%
• Water 16%