Application of GC-PPC-SAFT EoS to amine mixtures with a predictive approach

作者：Rozmus J; de Hemptinne J C^*; Mougin P

来源：Fluid Phase Equilibria, 2011, 303(1): 15-30.

DOI：10.1016/j.fluid.2010.12.009

• GC-PPC-SAFT
• Equation of state
• VLE
• Amines
• Group contribution method

The GC-PPC-SAFT equation of state (EoS) is a combination of a group contribution method [S. Tamouza et al., Fluid Phase Equilib. 222-223 (2004) 67-76; S. Tamouza et al., Fluid Phase Equilib. 228-229(2005) 409-419] and the PC-SAFE EoS U. Gross, G. Sadowski, Ind. Eng. Chem. Res. 40 (2001) 1244-1260] which was adapted to the polar molecules ID. Nguyen-Huynh et al., Fluid Phase Equilib. 264 (2008)62-75]. It is here applied to the vapour pressure and liquid molar volume of primary, secondary and tertiary amines and their mixtures with n-alkanes, primary and secondary alcohols, using previously published group parameters. The mixing enthalpy is also evaluated for the binary systems. Binary interaction parameters k(ij) are computed using a group-contribution pseudo-ionization energy, as proposed by Nguyen-Huynh [D. Nguyen-Huynh et al.. Ind. Eng. Chem. Res. 47 (2008) 8847-8858]. A unique corrective parameter for the cross-association energy between amines and alcohols is used.
The agreement with experimental data in correlation and prediction were found rather encouraging. The mean absolute average deviation (AAD) on bubble pressure is about 3.5% for pure amines. The mean AAD on the vapour-liquid equilibria (VIE) are respectively 2.2% and 5.5% for the amine mixtures with n-alkanes and alcohols. The AADs on saturated liquid volume are about 0.7% for the pure compounds and 0.9% for the mixtures. Prediction results are qualitatively and quantitatively accurate and they are comparable to those obtained with GC-PPC-SAFT on previously investigated systems.

• 出版日期2011-4-15