Accurate equation of state predictions at high temperatures and pressures using the existing UNIFAC model

VLE predictions with the Peng–Robinson equation of state and temperature dependent kij calculated through a group contribution method

“…All these methods, called EOS/g E models, are based on equating the excess Gibbs energy from a liquid phase activity coefficient model with the corresponding term from an EOS. More information and comparison between all these methods can be found elsewhere [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18]. Among these many EOS/g E models, one was developed by Péneloux and co-workers [16][17][18].…”

“…T((B kl /A kl )−1)Taking into account that α 13 = α 14 = α 15 = α 16 = 0 and that α 23 = α 24 = α 25 = α 26 = 0, we have: (α 12 − α 22 )× (α 11 − α 21 ) A 21 298.15 T ((B 21 /A 21 )−1) = −(α 11 − α 21 )(α 12 − α 22 ) × A 12 298.15 T ((B 12 /A 12 )−1)With α 11 = 2/3, α12 = 1/3, α 21 = α 22 = 1/2, A 12 = 74.81 × 10 6 Pa, B 12 = 165.7 × 10 6 Pa, and T = 303.15 K, one obtains DS = 2.036 × 10 6 Pa. • Task 4: calculation of a i and b i (i T = 303.15) = 1.1371 S.I. a 2 (T = 303.15) = 1.8361 S.I.…”

Reformulation of Wong‐Sandler mixing rule for cubic equations of state

“…AIChE Journal predictive capabilities of this mixing rule were later demonstrated Orbey et al, 1993). In this work we have reformulated this mixing rule to eliminate one of the parameters, and in a way that it can be reduced to the van der Waals one-fluid mixing rule with the appropriate choice of parameters.…”

A modification of Wong-Sandler mixing rule for the prediction of vapor-liquid equilibria in binary asymmetric systems

“…The Wong-Sandler model could be used to extrapolate successfully experimental data from low temperatures and pressures to much higher temperatures and pressures. In the absence of experimental data, this model can be used for providing high quality predictions based on the UNIFAC model or other low pressure VLE prediction methods [2][3][4][5], but it has been shown that the Wong-Sandler model fails to represent asymmetric systems [6].…”