Measurements of the (p, ρ,T) properties and virial coefficients of pure water, methane,n-hexane,n-octane, benzene, and of their aqueous mixtures in the supercritical region

Molecular dynamics simulation of the CH4 and CH4–H2O systems up to 10GPa and 2573K

“…Similarly, the simulation results with OPLS potential agree well with the 1941 TP experimental points; the average deviation is 0.96% and the maximum deviation is Ross and Ree (1980) 1900-119,600 384-6528 8 (4) Achtermann et al (1986) 5.0 11-287 35 Shmonov et al (1993) 10-200 653.-723 21 (5) Abdulagatov et al (1993b) 3.92-58.86 523.15-653.15 17 Abdulagatov et al (1996) 0.5-95.6 523.15-673.15 47…”

“…Fig. 3 displays the comparison of the simulation results with the most recently published high temperature data of Abdulagatov et al (1996) (note that the OPLS-SITE results with error bigger than 3% were not shown in the figure for clarity). The performances of the molecular simulation with both OPLS and EXP6 potential model are quite similar in the relatively lower TP region where the maximum deviation is below 1%.…”

Molecular‐based virial coefficients of CO2‐H2O mixtures

“… Second virial coefficient of H 2 O, B 02 . Experimental data (open symbols) are from Eubank et al, Warowny and Eubank, Kell et al, and Abdulagatov et al Calculated values (filled symbols) from this work are based on the potential of Góra et al with and without semiclassical corrections (as indicated), and the GCPM for H 2 O from Pericaud et al The experimentally based correlation of Harvey and Lemmon is shown with the solid line. Confidence limits are smaller than the symbol sizes for all data, or (for Eubank et al and Warowny‐Eubank) are unknown.…”

A new evaluation of (p, ρ,T) measurements on steam with corrections for the effects of physical and chemical adsorption

“…Very recently, Abdulagatov et al (17) reported measurements of the volumetric behaviour of steam in the temperature range 523 K to 653 K. Unfortunately, they did not take into account effects of adsorption and chemisorption and started the measurements at pressures of 1 MPa, so that the influence of the third and higher virial coefficients is rather large.…”