Extraordinarily skewed solid-liquid coexistence for tensile fluid in nanopores and its origin: a molecular dynamics study

摘要

The effect of equilibrium vapor-phase presusre onto freezing in nanopore is examined employing a molecular dynamics (MD) technique in a unit cell with imaginary gas phase. The MD simulations showed liquid-solid phase transitions, at a constant temperature, with the variation in the equilibrium vapor-phase pressure below saturated one Thus found solid-liquid coexistence line exhibited extraordinarily skewed shape, which implies the importance of the tensile effect on freezing in nanopores. The capillary effect on shift in freezing point was successfully described by a model based on the concept of pressure felt by the pore fluid.