Title of article
On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State
Author/Authors
Pakravesh, A Department of Physical Chemistry - Faculty of Chemistry - Bu-Ali Sina University - Shahid Fahmide Street - Hamedan, Iran , Zarei, H Department of Physical Chemistry - Faculty of Chemistry - Bu-Ali Sina University - Shahid Fahmide Street - Hamedan, Iran
Pages
12
From page
45
To page
56
Abstract
The hard-sphere system is the reference fluid for most versions of the statistical associating fluid theory (SAFT) equation of state
(EoS). In the SAFT-type equations of state, the hard-sphere equation directly affects the reference term and through the radial distribution
function, indirectly affects the chain and association terms. Although there are various EoSs for describing the thermodynamic behavior of
the hard-sphere fluid, the Carnahan-Starling EoS has traditionally been used to express the hard-sphere contribution in SAFT-type models.
In this work, we integrated eight hard-sphere EoS in the simplified SAFT EoS and parameterized the resulting EoS with pressure-densitytemperature
data. Then, using modified versions of the simplified SAFT (SSAFT), we calculated the thermodynamic properties including
pressure, density, temperature, saturated vapor-pressure, isochoric heat capacity, isobaric heat capacity, and speed of sound, for ethane,
butane, hexane, and hexatriacontane, and compared the results. In general, the results of calculations show that although the modified
Carnahan-Starling, Kolafa, and Carnahan-Starling EoSs have had the best results, considering the simplicity and straightforwardness of the
Carnahan-Starling EoS, this EoS is a reasonable choice for developing SAFT-type equations of state.
Keywords
Equation of state , Hard-sphere fluid , Radial distribution function , Thermodynamic modeling , Statistical Associating Fluid Theory (SAFT)
Journal title
Physical Chemistry Research
Serial Year
2022
Record number
2696554
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