Abstract

In this study, we applied the lattice Boltzmann pseudopotential model to systematically simulate the phase behavior of the confined fluids and the physisorption process in nanopores. The simulation results indicated that the pseudopotential model could well describe the thermodynamic and phase behaviors of the confined fluids on the molecular level. By performing numerical adsorption experiments in nanopores, the model accurately captured the essential characteristics of types I and IV physisorption isotherms in micropores and mesopores, respectively, and revealed the underlying mechanisms of adsorption hysteresis induced by adsorption metastability and network effects. The present work shows the potential and advantages of the pseudopotential model to simulate the physisorption process in nano-porous media.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call