(Liquid  +  liquid) equilibria measurements for ternary systems (sulfolane  +  a carboxylic acid  +  n -heptane) at  T  =  303.15  K and at 0.1  MPa

Cele, Noxolo Pretty; Bahadur, Indra; Redhi, Gan G.; Ebenso, Eno E.

doi:10.1016/j.jct.2015.12.019

Cited by 7 publications

(7 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Nowadays, studies are available in the literature about the removal of oxygenated substances through the use of sulfolane and acetonitrile , by using model systems, that is, a chosen compound which is expected to represent the hydrocarbon stream generated through a Fischer–Tropsch synthesis. Although these solvents are widely used in chemical industries, they are admittedly toxic and their median lethal doses (LD 50 mg/kg oral in rats) are 269 for acetonitrile and 1846–2500 for sulfolane .…”

Section: Introductionmentioning

confidence: 99%

Liquid–Liquid Equilibria of Ternary Mixtures (1-Heptanol, Propanone, 2-Butanone or 2-Heptanone + γ-Valerolactone + n-Tetradecane)

2019

View full text Add to dashboard Cite

Although petroleum is widely used to make solvents and to produce energy, solvents derived from it, such as acetonitrile, may not be the safest and most sustainable options currently available. Additionally, processes such as the Fischer–Tropsch synthesis emerge as an intelligent alternative to produce energy from coal, biomass, or natural gas to supply the increasing demand for petroleum-derived products. Thus, with a green solvent, γ-valerolactone, applied to the removal of oxygenated compounds from a Fischer–Tropsch process stream, this work suggests the application of a less toxic solvent to an alternative energy production process through model systems. In this sense, liquid–liquid equilibrium experimental data were measured for systems composed of an oxygenated solute (1-heptanol, propanone, 2-butanone, or 2-heptanone) + γ-valerolactone + n-tetradecane at 298.15 K. The liquid–liquid equilibrium data were successfully correlated by the nonrandom two-liquid model with a medium average deviation lower than 1%. Therefore, the measured experimental data may contribute to the design of a liquid–liquid extraction process applied to the refinement of synthetic crude oil from a Fischer–Tropsch synthesis.

show abstract

Section: Introductionmentioning

confidence: 99%

Liquid–Liquid Equilibria of Ternary Mixtures (1-Heptanol, Propanone, 2-Butanone or 2-Heptanone + γ-Valerolactone + n-Tetradecane)

2019

View full text Add to dashboard Cite

show abstract

“…Moreover, •, predictions of the original UNIFAC model; ▲, predictions of the COSMO-SAC-UNIFAC model; ★, predictions of the COSMO-SAC model; ■ , experimental data. 23,24 The experimental data points come from ref 24 (copyright 2016 Elsevier B.V.) with permission. the COSMO-SAC-UNIFAC model prediction is the closest to experimental data.…”

Section: Resultsmentioning

confidence: 99%

“…LLE of the (a) sulfolane (1) + butanoic acid (2) + heptane (3) and (b) morpholine (1) + acetonitrile (2) + octane (3): , experimental tie line; ●, predictions of the original UNIFAC model; ▲, predictions of the COSMO-SAC-UNIFAC model; ★, predictions of the COSMO-SAC model; ■, experimental data. , The experimental data points come from ref (copyright 2016 Elsevier B.V.) with permission.…”

Section: Resultsmentioning

confidence: 99%

Extension of the COSMO-UNIFAC Thermodynamic Model

Zhu

Taheri

Zhang

et al. 2020

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

In this work, a priori COSMO-SAC model was combined with the original UNIFAC model, and thus the new COSMO-SAC-UNIFAC thermodynamic model with a strong predictive power for fluid phase equilibrium (VLE, LLE) was proposed. By this means the group binary parameter matrix of original UNIFAC model was extended by introducing the new 648 vacant parameter pairs for 51 main functional groups for the conventional substances in this work. Moreover, the combined thermodynamic model was first applied to process simulation on gas drying with ionic liquids (ILs). To verify the reliability of the COSMO-SAC-UNIFAC model, the predictive values were directly compared with experimental data coming from this work, our previous work, and literature. The moderately accurate predictions of the COSMO-SAC-UNIFAC model demonstrate the high potential applicability of this new model, especially for numerous systems with missing parameters including ILs, which are normally encountered in the original UNIFAC model.

show abstract

“…In the literature, extraction of carboxylic acids (from two to five carbons) from dodecane and n -heptane with dipolar aprotic solventsnamely, acetonitrile and sulfolane, respectivelywas investigated by means of LLE data. GVL belongs to the same solvent category, but it is less harmful to the environment and human safety.…”

Section: Introductionmentioning

confidence: 99%

“…22,23 Their carbon chain length typically ranges from two or three (in the case of ketones) to five, and their occurrence decreases for all organic classes as the alkyl chain grows, being ethanol, ethanoic acid, propanone, and ethanal the most formed oxygenated compounds in each case and the C 5 or longer compounds the least ones formed. 22 In the literature, extraction of carboxylic acids (from two to five carbons) from dodecane and n-heptane with dipolar aprotic solventsnamely, acetonitrile 27 and sulfolane, 28 respectivelywas investigated by means of LLE data. GVL belongs to the same solvent category, 29 but it is less harmful to the environment and human safety.…”

Section: Introductionmentioning

confidence: 99%

γ-Valerolactone as a Green Solvent for Extracting Carboxylic Acids and Alcohols from n-Tetradecane: Equilibrium Data for Model Systems at 298.15 K

Dantas

Ceriani

2022

J. Chem. Eng. Data

View full text Add to dashboard Cite

γ-Valerolactone (GVL) is a renewable, low-toxic molecule obtained from lignocellulosic biomass, which presents interesting properties for usage as a solvent, supporting the development of sustainable and safe processes. This work presents liquid–liquid equilibrium data for five ternary model systems containing n-tetradecane + GVL + alcohol (1-propanol or 1-butanol or 1-pentanol) or carboxylic acid (propanoic acid or pentanoic acid) at 298.15 K. The equilibrium compositions were indirectly quantified by means of density and composition correlations of the solubility curve data. After parameter adjustments of the NRTL and UNIQUAC models, deviations were between 0.24 and 1.29%. The partition ratios of the oxygenated solutes were higher than 1.4 in all cases, and the minimal value of the solvent selectivity was 28.7, indicating that the GVL successfully extracted such polar oxygenated solutes from a mixture with a hydrocarbon like the ones expected to be found in a Fischer–Tropsch process.

show abstract

(Liquid + liquid) equilibria measurements for ternary systems (sulfolane + a carboxylic acid + n -heptane) at T = 303.15 K and at 0.1 MPa

Cited by 7 publications

References 22 publications

Liquid–Liquid Equilibria of Ternary Mixtures (1-Heptanol, Propanone, 2-Butanone or 2-Heptanone + γ-Valerolactone + n-Tetradecane)

Liquid–Liquid Equilibria of Ternary Mixtures (1-Heptanol, Propanone, 2-Butanone or 2-Heptanone + γ-Valerolactone + n-Tetradecane)

Extension of the COSMO-UNIFAC Thermodynamic Model

γ-Valerolactone as a Green Solvent for Extracting Carboxylic Acids and Alcohols from n-Tetradecane: Equilibrium Data for Model Systems at 298.15 K

Contact Info

Product

Resources

About