Liquid–Liquid Equilibrium Data of Water + Butyric Acid + {Butanal or <i>n</i>-Butanol} Ternary Systems at 293.15, 308.15, and 323.15 K

Yu, Chao; Wu, Shutian; Zhao, Yang; Zeng, Zuoxiang; Xue, Weilan

doi:10.1021/acs.jced.6b00941

Cited by 13 publications

(7 citation statements)

References 35 publications

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“…Absolute and relative deviations for pentanal and ( E )-2-undecenal are in the same order of magnitude of analogous comparisons found in other works from the literature. − For butanal, noticeable deviations from reported values in the literature were found for density and refractive index, despite the purity of 98.5% (m/m) informed by the supplier in the certificate of analysis from the gas chromatography test. The reported value for density and refractive index shown in Table was for a compound with 99.3% (m/m) and 99% (m/m) of purity.…”

Section: Methodssupporting

confidence: 77%

Liquid–Liquid Equilibria of Ternary Mixtures Containing n-Tetradecane + γ-Valerolactone + Aldehyde [Butanal or Pentanal or (E)-2-Undecenal] at 298.15 K

Dantas

Ceriani

2022

J. Chem. Eng. Data

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γ-Valerolactone (GVL) is a biomass-based chemical with appealing physicochemical properties for use as a solvent, but its actual development of extraction processes still requires an extensive mapping of the thermodynamic equilibrium involved and accurate models for simulation. In this sense, this work aimed at evaluating the liquid–liquid equilibrium of model systems, composed of n-tetradecane + GVL + aldehyde [butanal or pentanal, or (E)-2-undecenal] at 298.15 K, related to the extraction of oxygenated contaminants in a Fischer–Tropsch diesel process. Phase compositions in equilibrium were indirectly determined by means of density correlation along the solubility curve. Both short-chain aldehydes, butanal and pentanal, distributed preferably within the solvent phase, resulting in the partition ratio (K i ) within the range of 1.36–2.9 and selectivity higher than 33.1, which reveals the suitability for using GVL as the solvent. The binary interaction parameters of the NRTL and UNIQUAC models successfully correlated the experimental data, resulting in maximum root mean square deviations of 0.38 and 0.47%, respectively.

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Section: Methodssupporting

confidence: 77%

Liquid–Liquid Equilibria of Ternary Mixtures Containing n-Tetradecane + γ-Valerolactone + Aldehyde [Butanal or Pentanal or (E)-2-Undecenal] at 298.15 K

Dantas

Ceriani

2022

J. Chem. Eng. Data

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“…Parameters for the combinatorial contribution to the UNIQUAC activity coefficient model were determined using the UNIFAC group contribution method. 19 components, data are available for only two of the six possible binary pairs−liquid−liquid equilibrium data for the n-butanal/ water system 20 and vapor−liquid equilibrium data for the BDO/water system. 21,22 The UNIQUAC parameters for the missing binary pairs were derived from UNIFAC parameters for liquid−liquid equilibria.…”

Section: Physicalmentioning

confidence: 99%

“…Data exists for only 8 of the 55 binary pairs in the mixture. Of the four major components, data are available for only two of the six possible binary pairs–liquid–liquid equilibrium data for the n-butanal/water system and vapor–liquid equilibrium data for the BDO/water system. , The UNIQUAC parameters for the missing binary pairs were derived from UNIFAC parameters for liquid–liquid equilibria . Liquid–liquid equilibrium parameters were used for the model because the liquid–liquid phase separation is more important to the reactive extraction process than vapor–liquid equilibrium.…”

Section: Process Modelmentioning

confidence: 99%

Reactive Extraction Process for Separating 2,3-Butanediol from Fermentation Broth

Kubic

Tan

2023

Ind. Eng. Chem. Res.

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Separating 2,3-butanediol (BDO) from fermentation broth is challenging. Water is more volatile than BDO, so energy consumption for distillation is high. One alternative is a reactive extraction process. BDO in the broth reacts with an aldehyde or ketone to form an insoluble dioxolane, which can be decanted from the broth. The dioxolane is subsequently heated with water or steam, resulting in decomposition of the dioxolane into BDO and the aldehyde or ketone, which are separated to recover BDO and the aldehyde or ketone for recycling. Although variations of this process have been demonstrated, no information on efficiency, cost, or sustainability has been reported. Energy efficiency, cost, and sustainability of a reactive extraction process were evaluated. The total energy consumed by the reactive extraction process is about 17% of the net heating value of BDO, and the separation cost is $0.22/kg BDO.

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“…Liquid–liquid separation is a prominent approach for purifying carboxylic acids obtained from fermentation or chemical synthesis. This method is both cost-effective and environmentally friendly, particularly if the selection of the solvent is optimal. − However, it is important to note that precise data on liquid–liquid equilibria (LLE) are crucial for the efficient design of the separation processes. Additionally, this data can aid researchers in refining thermodynamic modeling and predicting phase behavior with greater accuracy…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Exploration of Liquid–Liquid Equilibrium of Ternary Mixtures (Water + Lactic Acid + Esteric Solvents) at T = 298.2 K

Shekarsaraee,

Shamizad

2024

J. Chem. Eng. Data

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In this research, liquid−liquid equilibria of two ternary systems (water + lactic acid + dimethyl succinate or dimethyl phthalate) were investigated at T = 298.2 K and 101.3 kPa. Acid−base titrations and high performance liquid chromatography measurements were employed to measure the tie-line data. NRTL and UNIQUAC thermodynamic models were applied for the correlation of the measured tie-line points. The root-mean-square deviation values (less than 0.4%) prove the quality and accuracy of modeling. Optimized and validated NRTL binary interaction parameters suggested that the strongest solute−solvent attraction energy is between lactic acid and water. The NRTL equation was employed to calculate the activity coefficients, revealing that the activity coefficients of lactic acid display a negative deviation in both the aqueous and organic phases. Conversely, the activity coefficients of the solvents in both phases and water in the organic phase exhibit positive deviations. The water activity coefficients in aqueous phases are found to be near unity with minor positive and negative deviations. We found that the investigation of the obtained activity coefficients is necessary due to the presence of numerous validated results displaying implausible values. Distribution coefficients and separation factors were calculated to evaluate the extraction capability of the solvents. Dimethyl phthalate had the larger separation factors and wider biphasic area, while dimethyl succinate showed the greater distribution coefficients at the cost of smaller separation factors.

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Liquid–Liquid Equilibrium Data of Water + Butyric Acid + {Butanal or n-Butanol} Ternary Systems at 293.15, 308.15, and 323.15 K

Cited by 13 publications

References 35 publications

Liquid–Liquid Equilibria of Ternary Mixtures Containing n-Tetradecane + γ-Valerolactone + Aldehyde [Butanal or Pentanal or (E)-2-Undecenal] at 298.15 K

Liquid–Liquid Equilibria of Ternary Mixtures Containing n-Tetradecane + γ-Valerolactone + Aldehyde [Butanal or Pentanal or (E)-2-Undecenal] at 298.15 K

Reactive Extraction Process for Separating 2,3-Butanediol from Fermentation Broth

Experimental and Theoretical Exploration of Liquid–Liquid Equilibrium of Ternary Mixtures (Water + Lactic Acid + Esteric Solvents) at T = 298.2 K

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