Predicting benzene fluxes in NaX membranes from atomistic simulations of cooperative diffusivities

Physics & Astronomy

• benzene 76%
• diffusivity 71%
• membranes 56%
• zeolites 44%
• simulation 29%
• molecular dynamics 27%
• predictions 20%
• dilution 19%
• partial pressure 18%
• temperature 17%
• probes 11%
• defects 10%
• molecules 10%

Engineering & Materials Science

• Benzene 93%
• Membranes 65%
• Fluxes 62%
• Zeolites 37%
• Molecular dynamics 34%
• Temperature 24%
• Permeation 18%
• Partial pressure 18%
• Dilution 16%
• Molecules 15%
• Defects 10%
• Computer simulation 8%

Chemical Compounds

• Atomistic Simulation 100%
• Benzene 53%
• Resistance 36%
• Zeolite 29%
• Partial Pressure 18%
• Displacement 15%
• Dilution 15%
• Molecular Dynamics 14%
• Simulation 12%
• Diffusion 11%
• Probe 11%