Frenkel line crossover of confined supercritical fluids.

ABSTRACT: We investigate the temperature evolution of dynamics and structure of partially confined Lennard Jones (LJ) fluids in supercritical phase along an isobaric line in the P-T phase diagram using molecular dynamics simulations. We compare the Frenkel line (FL) crossover features of partially confined LJ fluids to that of the bulk LJ fluids in supercritical phase. Five different spacings have been chosen in this study and the FL crossover characteristics have been monitored for each of these spacings for temperatures ranging from 240 K to 1500 K keeping the pressure fixed at 5000 bar. We characterize the FL crossover using density of states (DoS) function and find that partially confined supercritical fluids (SCF) exhibit a progressive shift of FL crossover point to higher temperatures for smal

SUBMITTER: Ghosh K 

PROVIDER: S-EPMC6795815 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature