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Aspen Physical Property System - Physical Property Models

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The apparent fugacities and partial molar enthalpies, Gibbs energies and<br />

entropies of H2S and CO2 are calculated by standard thermodynamic<br />

relationships. The chemical reactions are always considered.<br />

The values of the coefficients for the seven equilibrium constants (A1i, ... A5i)<br />

and for the two Henry's constants B1i and B2i are built into the <strong>Aspen</strong> <strong>Physical</strong><br />

<strong>Property</strong> <strong>System</strong>. The coefficients for the equilibrium constants were<br />

determined by regression. All available data for the four amines were used:<br />

monoethanolamine, diethanolamine, disopropanolamine and diglycolamine.<br />

You are not required to enter any parameters for this model.<br />

References<br />

R.L. Kent and B. Eisenberg, Hydrocarbon Processing, (February 1976),<br />

pp. 87-92.<br />

Maxwell-Bonnell Vapor Pressure Model<br />

The Maxwell-Bonnell model calculates vapor pressure using the Maxwell-<br />

Bonnell vapor pressure correlation for all hydrocarbon pseudo-components as<br />

a function of temperature. This is an empirical correlation based on API<br />

procedure 5A1.15, 5A1.13. This model is used in property method MXBONNEL<br />

for calculating vapor pressure and liquid fugacity coefficients (K-values).<br />

References<br />

API procedure 5A1.15 and 5A1.13.<br />

Solid Antoine Vapor Pressure Model<br />

The vapor pressure of a solid can be calculated using the Antoine equation.<br />

Parameters for some components are available for the extended Antoine<br />

equation from the <strong>Aspen</strong> <strong>Physical</strong> <strong>Property</strong> <strong>System</strong> pure component databank.<br />

This equation can be used whenever the parameter PSANT is available.<br />

The equation for the solid Antoine vapor pressure model is:<br />

Extrapolation of ln pi *,s versus 1/T occurs outside of temperature bounds.<br />

Parameter<br />

Name/<br />

Element<br />

190 2 Thermodynamic <strong>Property</strong> <strong>Models</strong><br />

Symbol Default MDS Lower Limit Upper<br />

Limit<br />

Units<br />

PSANT/1 C 1i — x — — PRESSURE,<br />

TEMPERATURE<br />

PSANT/2 C 2i — x — — TEMPERATURE<br />

PSANT/3 C 3i 0 x — — TEMPERATURE<br />

PSANT/4 C 4i 0 x — — TEMPERATURE<br />

PSANT/5 C 5i 1000 x — — TEMPERATURE

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