Phase behavior of the oleic acid – methanol – methyl oleate – water mixture as a promising model system for biodiesel production: Brief data review and new results at 303.15 K and atmospheric pressure

Toikka, Maria; Kuzmenko, Petr; Trofimova, Maya

doi:10.1016/j.fuel.2022.123730

Cited by 5 publications

(2 citation statements)

References 31 publications

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“…For an extensive discussion on the different available algorithms, we refer to the recent literature [ 53 , 61 , 62 , 63 ]. The group of Toikka has worked extensively in the field of CPE with theoretical considerations [ 64 , 65 , 66 , 67 , 68 , 69 , 70 ] and experimental/modeling contributions [ 71 , 72 , 73 , 74 , 75 , 76 ]. They have also published some extensive reviews on existing data for CPE systems [ 1 , 67 ].…”

Section: Introductionmentioning

confidence: 99%

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

2023

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The study of chemical reactions in multiple liquid phase systems is becoming more and more relevant in industry and academia. The ability to predict combined chemical and phase equilibria is interesting from a scientific point of view but is also crucial to design innovative separation processes. In this work, an algorithm to perform the combined chemical and liquid–liquid phase equilibrium calculation was implemented in the PC-SAFT framework in order to predict the thermodynamic equilibrium behavior of two multicomponent esterification systems. Esterification reactions involve hydrophobic reacting agents and water, which might cause liquid–liquid phase separation along the reaction coordinate, especially if long-chain alcoholic reactants are used. As test systems, the two quaternary esterification systems starting from the reactants acetic acid + 1-pentanol and from the reactants acetic acid + 1-hexanol were chosen. It is known that both quaternary systems exhibit composition regions of overlapped chemical and liquid–liquid equilibrium. To the best of our knowledge, this is the first time that PC-SAFT was used to calculate simultaneous chemical and liquid–liquid equilibria. All the binary subsystems were studied prior to evaluating the predictive capability of PC-SAFT toward the simultaneous chemical equilibria and phase equilibria. Overall, PC-SAFT proved its excellent capabilities toward predicting chemical equilibrium composition in the homogeneous composition range of the investigated systems as well as liquid–liquid phase behavior. This study highlights the potential of a physical sound model to perform thermodynamic-based modeling of chemical reacting systems undergoing liquid–liquid phase separation.

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Section: Introductionmentioning

confidence: 99%

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

2023

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“…Noriega and Narváez [22] correlated the UNIFAC model from experimental data in order to accurately describe and predict the liquid-liquid equlibrium of the systems involved in the biodiesel process. However, there are few studies on liquid-liquid equilibrium for ternary systems containing pure esters, including ethyl palmitate + ethanol + glycerol [23], methyl oleate + methanol + water [24]. Thus, experimental liquid-liquid equilibrium data of systems involving pure fatty acid esters (such as methyl palmitate) are scarce in the literature, requiring more robust and conclusive studies [25].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Modeling of Liquid-Liquid Equilibrium in Ternary Systems with Biodiesel and Isolated Ester (Methyl Palmitate)

Bezerra

ANDRADE

SİLVA

et al. 2022

International Journal of Thermodynamics

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Liquid-liquid equilibrium data were measured and analyzed for two ternary systems (biodiesel + methanol + glycerol and methyl palmitate + methanol + glycerol). Biodiesel, produced by the conventional chemical route at 60 °C for 60 min, using methanol and soybean oil at a molar rate of 10:1 and potassium hydroxide concentration (KOH) of 1 wt% exhibited thermal decomposition at temperatures between 100 and 250 ºC, reaching mass loss of approximately 98.8%, confirming soybean oil conversion into biodiesel by gas chromatography and thermogravimetry. Tie line composition quality was verified using Othmer-Tobias and Hand correlation equations. The distribution and selectivity coefficients were calculated for the immiscibility regions. The experimental tie line data exhibited good correlation in the UNIQUAC and NRTL thermodynamic models. The biodiesel system displayed deviations of 0.66 and 0.53% for the UNIQUAC and NRTL models, respectively. In addition, the methyl palmitate system showed a 1.23 and 0.48% deviation for the UNIQUAC and NRTL model, respectively. The individual behavior of the main biodiesel esters , based on the UNIQUAC model parameters, demonstrated that the type of fatty acid does not interfere in model correlation, likely due to the similarity between their composition and properties.

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Liquid–Liquid Phase Equilibrium in Ternary Mixtures of Methanol

Semenov,

Kuchierskaya,

Novikov

2024

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering

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Phase behavior of the oleic acid – methanol – methyl oleate – water mixture as a promising model system for biodiesel production: Brief data review and new results at 303.15 K and atmospheric pressure

Cited by 5 publications

References 31 publications

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

Thermodynamic Modeling of Liquid-Liquid Equilibrium in Ternary Systems with Biodiesel and Isolated Ester (Methyl Palmitate)

Liquid–Liquid Phase Equilibrium in Ternary Mixtures of Methanol

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