2010Journal of Dispersion Science and TechnologyRequires access

A New Association Term for SAFT Equation of State

Zahra Nickmand, Seyed Foad Aghamiri

Open publisher page 3 citations

Abstract

This work is devoted to present a new expression for association part of SAFT equation of state. This expression is obtained by calculating the mole fraction of not bonded molecules through a general chemical theory of association. The new equation of state is named CSAFT and has one adjustable parameter less than original SAFT for pure associating fluids. The performance of CSAFT is investigated by PVT calculations for pure fluids and LLE calculations for binary and ternary mixtures. Results show that CSAFT correlates vapor pressure and liquid density data of pure associating components more accurate than SAFT. Also the accuracy of CSAFT model is much better than SAFT for LLE prediction of binary and ternary mixtures, considering SAFT has one pure component parameter more than CSAFT.

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What this paper is about

This work is devoted to present a new expression for association part of SAFT equation of state. This expression is obtained by calculating the mole fraction of not bonded molecules through a general chemical theory of association. The new equation of state is named CSAFT and has one adjustable parameter less than original SAFT for pure associating fluids. The performance of CSAFT is investigated by PVT calculations for pure fluids and LLE calculations for binary and ternary mixtures. Results show that CSAFT correlates vapor pressure and liquid density data of pure associating components more accurate than SAFT. Also the accuracy of CSAFT model is much better than SAFT for LLE prediction of binary and ternary mixtures, considering SAFT has one pure component parameter more than CSAFT.

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Available abstract

This work is devoted to present a new expression for association part of SAFT equation of state. This expression is obtained by calculating the mole fraction of not bonded molecules through a general chemical theory of association. The new equation of state is named CSAFT and has one adjustable parameter less than original SAFT for pure associating fluids. The performance of CSAFT is investigated by PVT calculations for pure fluids and LLE calculations for binary and ternary mixtures. Results show that CSAFT correlates vapor pressure and liquid density data of pure associating components more accurate than SAFT. Also the accuracy of CSAFT model is much better than SAFT for LLE prediction of binary and ternary mixtures, considering SAFT has one pure component parameter more than CSAFT.

Key concepts: Equation of state, Ternary operation, Thermodynamics, Binary number, Mole fraction, Work (physics), Chemistry, Component (thermodynamics)

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