Thermodynamic factors derived from group contribution activity coefficient models.

Phase equilibria for ternary liquid systems of (water+carboxylic acid or alcohol+1-hexanol) at T=293.15 K: modelling considerations

“…Mori et al [20] extended the application of this approach to ASOG and UNIFAC-Dortmund group contribution methods. For a three-component system, C L in terms of the transferring solute (acid; tetrahydrofurfuryl alcohol) composition (x 2 ) referred to the organic phase is obtained from equation (3) as…”

Liquid–liquid equilibria for the system (water+carboxylic acid+chloroform): Thermodynamic modeling

“…., n − 1) constant except the nth. In this study, Γ L values were predicted from UNIFAC-Dortmund model using the derivative approaches for the activity coefficient (γ i ) of Mori et al [22]. The Table 3 Hildebrand solubility parameter (δ H ), and solvatochromic parameters of compounds [14].…”

Liquid–liquid equilibria for ternary systems of (water+carboxylic acid+1-octanol) at 293.15K: modeling phase equilibria using a solvatochromic approach

“…The definition of Γ L for a n-component system is given by Taylor and Kooijman [20]. Mori et al [21] extended the application of this approach to ASOG and UNIFAC-Dortmund group contribution methods:…”

“…(1) to both liquid-liquid systems with an amine as a reactive extractant and binary vapor-liquid systems in terms of ASOG and UNIFAC-Dortmund models, is given elsewhere [22,23]. In this study, Γ L values estimated from UNIFAC-Dortmund model using the derivative approaches for γ i of Mori et al [21] have been evaluated. The variation of Γ L and excess Gibbs energy function (G E ) with composition pertaining to the organic phase species are shown in Table 2.…”