Sublimation phenomena of Lennard-Jones fluids in slit nanopores.
Using molecular dynamics simulations, The authors studied the solid-vapor coexistence states of Lennard-Jones methane confined in slit-shaped graphite nanopores. Both the intrapore solid and extrapore vapor were simulated using a unit cell which they previously developed. Frozen critical condensates in the pores were cooled stepwise, and the equilibrium vapor pressure was determined at each temperature. The obtained solid-vapor coexistence curves were remarkably lower than that of the bulk phase. Their thermodynamic model successfully predicts the simulation results without the need to introduce any adjustable parameter, and thus proves its reliability.
Kanda
Hideki
H
Energy Engineering Research Laboratory, Central Research Institute of Electric Power Industry, Kanagawa 240-0196, Japan. kanda@criepi.denken.or.jp
Miyahara
Minoru
M