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Aspen Physical Property System - Physical Property Models

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mi = Computed by equation 6<br />

Equation 5 = Used for subcritical temperatures<br />

Additional parameters are not needed.<br />

Mathias Alpha Function<br />

This is an extension of the Soave alpha function which provides a more<br />

accurate fit of vapor pressure for polar compounds.<br />

For �i=0, equation 8 reduces to the standard Redlich-Kwong-Soave<br />

formulation, equations 5 and 6. For temperatures above critical, the Boston-<br />

Mathias extrapolation is used, that is, equation 7 with:<br />

2 Thermodynamic <strong>Property</strong> <strong>Models</strong> 75<br />

(8)<br />

(9)<br />

(10)<br />

The Mathias alpha function is used in the Redlich-Kwong-<strong>Aspen</strong> model, which<br />

is the basis for the RK-ASPEN property method. This alpha function is also<br />

available as an option for SRK, SRKKD, SRK-ML, RK-SOAVE, and RKS-BM.<br />

See Soave-Redlich-Kwong Option Codes for more information.<br />

Parameter<br />

Name/Element<br />

Symbol Default MDS Lower<br />

Limit<br />

Upper<br />

Limit<br />

Units<br />

TCRKA T ci TC X 5.0 2000.0 TEMPERATURE<br />

PCRKA p ci PC X 10 5<br />

OMGRKA � i OMEGA X -0.5 2.0 —<br />

† � i — X -2.0 2.0 —<br />

10 8<br />

PRESSURE<br />

† RKAPOL for Redlich-Kwong-<strong>Aspen</strong>, SRKPOL for SRK and SRKKD, SRKMLP for<br />

SRK-ML, RKSPOL for RKS-BM, or RKSSPO for RK-SOAVE.<br />

Extended Mathias Alpha Function<br />

An extension of the Mathias approach is:<br />

(11)<br />

Where mi is computed by equation 6. If the polar parameters p1,i, p2,i and p3,i<br />

are zero, equation 11 reduces to the standard Redlich-Kwong-Soave<br />

formulation. You can use vapor pressure data to regress the constants if the<br />

temperature is subcritical. Equation 11 is used only for temperatures below<br />

critical.<br />

The Boston-Mathias extrapolation is used for temperatures above critical, that<br />

is, with:<br />

(12)

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