Squarewell chains: Bulk equation of state using perturbation theory and Monte Carlo simulations of the bulk pressure and of the density profiles near walls J. Chem. Phys. 95, 1999 (1991); 10.1063/1.460998 Monte Carlo calculations of the equation of state of the squarewell fluid as a function of well widthResults of Monte Carlo and hypernetted chain theory calculations are reported for both the radial distribution function and the equation of state of the square-wel1 fluid for the particular case where the potential is cut off at J.5cr, where cr is the hard sphere diameter. At high densities, substantial errors are found in the hypernetted chain equation results at al1 temperatures. However, these errors are very nearly independent of temperature. The hypernetted chain theory accounts for the perturbing effects of the attractive forces with good accuracy despite appreciable errors in the treatment of the repulsive forces.
The theoretical equations of state for a Lennard-Jones fluid as determined by a variety of theories (Percus-Yevick, hypernetted-chain, Barker-Henderson, Weeks-Chandler-Andersen, Andrews. and virial expansion) are compared with experimental data for both argon and krypton monolayers. The experimental two-dimensional equation of state for argon is obtained from adsorption isotherms for argon on graphitized carbon black and is reported here over a range of temperatures from 120 to 166 K. The Percus-Y evick -energy equation of state is found to give the best overall agreement with experimental results.(5)
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.