Prediction of vapor-liquid and liquid-liquid equilibria at high pressures of 2-alkoxyethanol mixtures using PC-SAFT EoS

Predicting the Phase Behavior of Alcohols, Aromatic Alcohols, and Their Mixtures Using the Modified Group-Contribution Perturbed-Chain Statistical Associating Fluid Theory

“…The choice of the association schema (mainly 3B or 2B) may have a significant impact on phase equilibria computation results of mixtures. 5,21,37,38 As observed in previous works, liquid−liquid and vapor−liquid equilibria of methanol-/ethanol-containing mixtures were qualitatively and quantitatively modeled using the 2B schema 21 while explicitly accounting that the dipolar term does not improve the liquid−liquid prediction of such kind of mixtures. 26,39 However, the addition of the dipolar term was shown necessary to correctly represent the liquid−liquid equilibrium of acetic acid-3 or nitrile 4 containing mixtures where the polar force is significant.…”

“…The association volume for the n-alcohols is expected to be lower than that of 1-alcohols due to steric hindrance. 5 We assumed that a single value of association volume could be applied for n-alcohols, and this value was determined in this section (Table 3).…”

“…The dipole moment has been fixed to the recommended value (μ = 1.45 D for phenol and 1.65 D for phenyl methanol). 35 As suggested in previous works, 4,5,23,24 we selected the liquid−liquid equilibrium data of phenol + n-hexane and phenyl methanol + n-heptane mixtures to determine the dipolar fraction of phenol/phenyl methanol.…”

“…Accurate prediction of vapor–liquid and liquid–liquid equilibria of polar and associative molecule-containing mixtures is challenging from a theoretical point of view. − In this direction, the interest of using association theories within an equation of state (EoS) has been focused on. − To our best knowledge, only few researchers have studied the phase behavior of aromatic alcohol-containing systems. Most of these investigations were limited either to pure aromatic alcohols or mixtures with some alkanes, water, or alcohols. ,− Some of these studies were implemented for the VLE/LLE of systems that contain of phenols and alkanes. ,, However, the performance of most models for liquid–liquid equilibrium of aromatic alcohol + alkane mixtures is still not satisfactory for industrial applications.…”

Vapor–Liquid Equilibria of the Aqueous and Organic Mixtures Composed of Dipropylene Glycol Methyl Ether, Dipropylene Glycol n-Butyl Ether, and Propylene Glycol n-Butyl Ether. Part II: Modeling Based on the NRTL-PR Model

“…The PC-SAFT model was applied to the modeling of binary mixtures containing glycol ethers in the work by Avlund et al 7 and NguyenHuynh et al 8 The authors studied the mixtures of 2-methoxyethanol, 2-ethoxyethanol, 2-butoxyethanol, and 2alkoxyethanol with hydrocarbons. Along with this, Zarei et al 9 used the sPC-SAFT to obtain the thermophysical properties of 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol.…”