Computer Science
Scientific paper
May 1981
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1981gecoa..45..607j&link_type=abstract
Geochimica et Cosmochimica Acta, vol. 45, Issue 5, pp.607-614
Computer Science
18
Scientific paper
The following hardsphere modified Redlich-Kwong (HSMRK) equation of state was obtained by least squares fitting to available P - V - T data for methane ( P in bars; T in Kelvins; v in cm 3 mol -1 ; b = 60.00 cm 3 mol -1 ; R = 83.14 cm 3 bar mol -1 K -1 ): y = b /4 v c ( T ) = 13.403 × 10 6 + (9.28 × 10 4 ) T + 2.7 T 2 d ( T ) = 5.216 × 10 9 - (6.8 × 10 6 ) T + (3.28 × 10 3 ) T 2 e ( T ) = (-2.3322 × 10 11 ) + (6.738 × 10 8 ) T + (3.179 × 10 5 ) T 2 For the P - T range of experimental data used in the fit (50 to 8600 bars and from 320 to 670 K), calculated volumes and fugacity coefficients for CH 4 relative to experimentally determined volumes and fugacity coefficients have average percent deviations of 0.279 and 1.373, respectively. The HSMRK equation, which predicts linear isochores over a wide P - T range, should yield reasonable estimates of fugacity coefficients for CH 4 to pressures and temperatures well outside the P - T range of available P - V - T data. Calculations for the system H 2 O - CO 2 - CH 4 , using the HSMRK equations for H 2 O and CO 2 of Kerrick and Jacobs (1981) and the HSMRK equation for CH 4 of this study, indicate that compared to the binary H 2 O-CO 2 system, small amounts of CH 4 in the ternary system H 2 O-CO 2 -CH 4 slightly increases the activity of H 2 O, and significantly decreases the activity of CO 2 .
Jacobs Gary K.
Kerrick Derrill M.
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