AN ACCURATE EQUATION OF STATE FOR THE EXPONENTIAL-6 FLUID APPLIED TO DENSE SUPERCRITICAL NITROGEN

Citation
Le. Fried et Wm. Howard, AN ACCURATE EQUATION OF STATE FOR THE EXPONENTIAL-6 FLUID APPLIED TO DENSE SUPERCRITICAL NITROGEN, The Journal of chemical physics, 109(17), 1998, pp. 7338-7348
Citations number
73
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
109
Issue
17
Year of publication
1998
Pages
7338 - 7348
Database
ISI
SICI code
0021-9606(1998)109:17<7338:AAEOSF>2.0.ZU;2-R
Abstract
The exponential-6 potential model is widely used in fluid equation of state studies. We have developed an accurate and efficient complete eq uation of state for the exponential-6 fluid based on HMSA integral equ ation theory and Monte Carlo calculations. Our equation of state has a verage fractional error of 0.2% in p V/Nk(B)T and 0.3% in the excess e nergy U-ex/Nk(B)T. This is a substantial improvement in accuracy over perturbation methods, which are typically used in treatments of dense fluid equations of state. We have applied our equation of state to the problem of dense supercritical N-2. We and that we are able to accura tely reproduce a wide range of material properties with our model, ove r a range 0.01 less than or equal to P less than or equal to 100 GPa a nd 298 less than or equal to T less than or equal to 15000 K. [S0021-9 606(98)50841-0].