Solution Structure of Isoactivity Equations for Liquid–Liquid Equilibrium Calculations Using the Nonrandom Two-Liquid Model

Li, Zheng; Mumford, Kathryn A.; Smith, Kathryn H.; Chen, Jian; Wang, Yong; Stevens, Geoffrey W.

doi:10.1021/acs.iecr.5b04469

Cited by 11 publications

(14 citation statements)

References 35 publications

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“…N p is the number of liquid phases, N c is the number of components, and γ is the activity coefficient computed using the NRTL model. The conventional LLE parameter estimation approach, the K-value method, utilizes a phase equation [42] and iso-activity conditions while satisfying the material balance [43].…”

Section: Nrtl Parameter Estimationmentioning

confidence: 99%

Energy-efficient recovery of fermented butyric acid using octyl acetate extraction

Lee

Woo

et al. 2022

Biotechnol Biofuels

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Background A butyric acid recovery process using octyl acetate is proposed, and the design details of the extraction and subsequent distillation processes were investigated. Ternary equilibrium data for the extractor design were derived from molecular simulations and experimental measurements. Results A new procedure for estimating the thermodynamic parameters was introduced to determine the effect of the parameters on extractor design by comparison with previously reported parameters. Using the proposed recovery process with the newly estimated thermodynamic model, 99.8% butyric acid was recovered from the fermentation broth at a recovery rate of 99%. The energy demand for the proposed process was found to be lower than the average demand for several reported butyric acid recovery processes. Conclusions The investment cost is projected to be lower than that of other butyric acid processes due to the high efficiency of extraction solvent. The recovery cost of butyric acid was comparable to its selling price.

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Section: Nrtl Parameter Estimationmentioning

confidence: 99%

Energy-efficient recovery of fermented butyric acid using octyl acetate extraction

Lee

Woo

et al. 2022

Biotechnol Biofuels

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“…In short, the polarity and hydrophobicity of the nonaqueous solvents are the most important properties for forming immiscible phases with the less polar phase, and the effect of extractants and salts should also be taken into account. There are many empirical thermodynamic models to correlate the phase equilibria of ternary, quaternary, and even more-complicated systems with nonelectrolytes − and electrolytes, , and some predictive models for phase equilibria of nonelectrolytes. , However, quantitative studies on thermodynamic phase equilibria of NASX systems are lacking. It would be worthwhile to perform an in-depth study of the phase equilibria of NASX systems involving many extractants, nonaqueous solvents, and salts, to establish a thermodynamic equilibria library of NASX systems.…”

Section: Polar Molecular Organic Solventsmentioning

confidence: 99%

Nonaqueous Solvent Extraction for Enhanced Metal Separations: Concept, Systems, and Mechanisms

Dewulf

Binnemans

2021

Ind. Eng. Chem. Res.

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Efficient and sustainable separation of metals is gaining increasing attention, because of the essential roles of many metals in sustainable technologies for a climate-neutral society, such as rare earths in permanent magnets and cobalt, nickel, and manganese in the cathode materials of lithium-ion batteries. The separation and purification of metals by conventional solvent extraction (SX) systems, which consist of an organic phase and an aqueous phase, has limitations. By replacing the aqueous phase with other polar solvents, either polar molecular organic solvents or ionic solvents, nonaqueous solvent extraction (NASX) largely expands the scope of SX, since differences in solvation of metal ions lead to different distribution behaviors. This Review emphasizes enhanced metal extraction and remarkable metal separations observed in NASX systems and discusses the effects of polar solvents on the extraction mechanisms according to the type of polar solvents and the type of extractants. Furthermore, the considerable effects of the addition of water and complexing agents on metal separations in terms of metal ion solvation and speciation are highlighted. Efforts to integrate NASX into metallurgical flowsheets and to develop closed-loop solvometallurgical processes are also discussed. This Review aims to construct a framework of NASX on which many more studies on this topic, both fundamental and applied, can be built.

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“…In general, solving the isoactivity (the K -value method) equations is numerically easier than GEM, such as calculating the liquid–liquid equilibrium based on solving the isoactivity equations with a nonrandom two-liquid (NRTL) model . In the present work, the extraction equilibria for uranyl nitrate extraction with diluted TBP and different HNO 3 concentrations in the aqueous phase were experimentally studied.…”

Section: Introductionmentioning

confidence: 99%

Modeling of the Competition between Uranyl Nitrate and Nitric Acid upon Extraction with Tri-n-butyl Phosphate

Tan

Chang

et al. 2020

ACS Omega

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Uranium is a strategic element and plays an important role in energy resources. A H 2 O−HNO 3 − UO 2 (NO 3 ) 2 −TBP (tri-n-butyl phosphate)−diluent system is commonly used for uranium separation and purification in liquid−liquid extraction. Uranyl nitrate is promoted by the existence of nitrate at low HNO 3 concentrations but is inhibited at high HNO 3 concentrations. Considering the competitive extraction between HNO 3 and UO 2 (NO 3 ) 2 , a generic extraction model is developed. The activities of components in the aqueous phase were estimated using Pitzer models. The thermodynamic equilibrium constants and Pitzer parameters were regressed by experimental data. The resulting model was able to successfully predict uranyl nitrate, nitric acid, and water extraction over a large range of conditions (U, 0−1.8 mol/L; HNO 3 , 0−10 mol/L; TBP, 5−100 vol %) within average absolute relative deviations of 11.2, 15.7, and 23.8%, respectively. The predicted results show that water and nitric acid were extracted as di-solvates HNO 3 •(TBP) 2 •H 2 O and (TBP) 2 •2H 2 O at low nitric acid concentrations, with the formation of mono-solvates HNO 3 •TBP and HNO 3 •TBP•H 2 O as the acid concentration increased. Uranyl nitrate was shown to be rejected from the organic phase as the formation of HNO 3 •TBP and HNO 3 •TBP•H 2 O in acid was extracted at high acid concentrations.

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Solution Structure of Isoactivity Equations for Liquid–Liquid Equilibrium Calculations Using the Nonrandom Two-Liquid Model

Cited by 11 publications

References 35 publications

Energy-efficient recovery of fermented butyric acid using octyl acetate extraction

Energy-efficient recovery of fermented butyric acid using octyl acetate extraction

Nonaqueous Solvent Extraction for Enhanced Metal Separations: Concept, Systems, and Mechanisms

Modeling of the Competition between Uranyl Nitrate and Nitric Acid upon Extraction with Tri-n-butyl Phosphate

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