Orthobaric Densities from Simulations of the Liquid Vapour Interface
Orthobaric Densities from Simulations of the Liquid Vapour Interface
复制标题
液气界面模拟得到的正交压力密度
DOI：
--
复制
发表时间：
1990
期刊：
影响因子：
--
通讯作者：
J. Fischer
中科院分区：
文献类型：
--
作者：
Amal Lotfi;J. Vrabec;J. Fischer
Abstract Molecular dynamics studies of the liquid vapour interface of a Lennard-Jones fluid performed on a CYBER 205 are reported for kT/e = 0.70, 0.85, and 1.10. The main emphasis is on the orthobaric fluid densities: their dependence on different cut-off radii and long range corrections as well as their comparison with the coexisting densities from bulk fluid simulations. As previously reported bubble densities from bulk simulations differ by about 3 per cent at kT/e = 1.10, phase equilibrium was redetermined there with the NpT + test particle method. Concerning the bubble densities from the interface simulations, increase of the cut-off radius and use of long range corrections shift them up rather close to the “bulk” values. The dew densities from the interface simulations which for the usual cut-off radius of 2.5 [sgrave] are mostly too high by a factor of 3 are decreased dramatically by accounting for the long range part of the potential. For a cut-off radius of 5 [sgrave] and long range corrections ...
