Salts and 1‐propanol induced aqueous two‐phase systems: phase separation and application

Fu, Chuhan; Xie, Shaoqu

doi:10.1002/jctb.6036

Cited by 16 publications

(6 citation statements)

References 59 publications

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“…The salt content in the organic phase is determined by FAAS at the wavelength of 766.5 nm, and the detection method is an external standard method. A nitric acid (1:1, V/V with water) aqueous solution and a 10 g/L cesium nitrate solution were added to the samples for pretreatment [42, 43]. All samples were measured twice to get the average value.…”

Section: Methodsmentioning

confidence: 99%

Assessment of extraction options for a next‐generation biofuel: Recovery of bio‐isobutanol from aqueous solutions

Zhang

et al. 2021

Engineering in Life Sciences

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Isobutanol is a widely used platform compound and a raw material for synthesizing many high value‐added compounds. It also has excellent fuel properties and is an ideal gasoline additive or substitute with a very broad development space. Isobutanol production by biological fermentation has the advantages of a comprehensive source of raw materials, low cost, environmental protection, and sustainability. However, it also has disadvantages such as many impurities, low isobutanol concentration, and difficulty separating the water + isobutanol azeotrope. Thus, it is necessary to explore an appropriate downstream separation process for the water + isobutanol azeotrope. K2CO3 with a strong salting‐out effect was used as the salting‐out agent, and the salting‐out of isobutanol from aqueous solutions was investigated at 298.15 K. The effect of the initial salt concentration in the aqueous solution, the recovery of isobutanol, and the effect of dehydration were investigated in detail. The e‐NRTL‐RK model was employed to generate the binary parameters for isobutanol and water, and electrolyte pair parameters for water/isobutanol and ions to reproduce the phase diagram with high accuracy. The processes of solvent extractive distillation, and salting‐out + distillation were simulated by Aspen Plus. The energy consumptions for the solvent‐based and salting‐out‐based processes were compared. The salting‐out + distillation process turned out to be more energy‐saving than the solvent extraction process.

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Section: Methodsmentioning

confidence: 99%

Assessment of extraction options for a next‐generation biofuel: Recovery of bio‐isobutanol from aqueous solutions

Zhang

et al. 2021

Engineering in Life Sciences

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“…Therefore, ABE was repelled into the top phase, whereas water was attracted into the bottom phase, resulting in the removal of water. K 3 PO 4 shows high solubility in water with a strong salting-out effect, − indicating that K 3 PO 4 is an effective separation promotor. Then, we added Pd/C to the salting-out process with K 3 PO 4 to catalyze the alkylation of acetone with butanol and ethanol .…”

Section: Introductionmentioning

confidence: 99%

Techno-Economic Analysis of Upgrading Corn Stover-Based Acetone, n-Butanol, and Ethanol to Higher Ketones and Alcohols: Fuels or Fine Chemicals?

Xie

Zhang³

2023

ACS Sustainable Chem. Eng.

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Acetone−butanol−ethanol (ABE) fermentation is a traditional industrial exploitation with a history of 100 years and the second largest fermentation industry in the world, second only to bioethanol fermentation. However, low ABE concentration in the fermentation broth, a complex separation process, and high separation cost are the bottlenecks of the biobutanol industry. Therefore, developing an efficient and energy-saving ABE upgrading process gives another approach to the reindustrialization of ABE fermentation, even with the completeness of fossil resource-based products. Here, we report on a coupling salting-out catalytic process intensification technique in which acetone was alkylated with ethanol and 1-butanol by Pd/C + K 3 PO 4 , and the higher ketone and alcohol products were separated by the salting-out effect of K 3 PO 4 . The higher ketones and alcohols were experimentally obtained with >70% mass fractions at 200−250 °C under the fermentation-derived H 2 atmosphere and can be used as fuel precursors or fine chemicals. Aspen Plus was employed to simulate corn stover-based biobutanol production and the upgrading process through a series of analyses on raw materials cost, capital cost, operating cost, product selling prices, net present values, and sensitivities. A comparison between fuel precursors and fine chemicals was carried out, and fine chemicals turned out to be the preferred choice if the selectivity of the products and further purification process could be optimized. The results of a sensitivity analysis show that the ABE concentration process is one of the most energy-intensive processes. Reducing the costs of raw materials is one strategy to improve the completeness of ABE fermentation.

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“…It is a natural question to ask whether these techniques and the underlying force field parameters perform well for mixed-solvent solutions. Salt solutions in water–alcohol mixed solvents have been the subject of prior experimental and theoretical studies. − It has been shown experimentally that the addition of alcohols to the aqueous salt solutions decreases the salt solubility (“salting-out” effect). − Furthermore, the addition of salt to a number of water–alcohol binary solutions which are totally miscible in the absence of salt also leads to liquid–liquid phase separation. Ternary solutions of salt + water + an alcohol are of particular interest in many technological applications including crystallization, liquid–liquid extraction, and hydrometallurgical process, to name a few.…”

Section: Introductionmentioning

confidence: 99%

Activity Coefficients and Solubilities of NaCl in Water–Methanol Solutions from Molecular Dynamics Simulations

Saravi

Panagiotopoulos

2022

J. Phys. Chem. B

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We obtain activity coefficients and solubilities of NaCl in water–methanol solutions at 298.15 K and 1 bar from molecular dynamics (MD) simulations with the Joung–Cheatham, SPC/E, and OPLS-AA force fields for NaCl, water, and methanol, respectively. The Lorentz–Berthelot combining rules were adopted for the unlike-pair interactions of Na+, Cl–, and the oxygen site in SPC/E water, and geometric combining rules were utilized for the remainder of the cross interactions. We found that the selection of appropriate combining rules is important in obtaining physically realistic solubilities. The solvent compositions studied range from pure water to pure methanol. Several salt concentrations were investigated at each solvent composition, from the lowest concentrations permitted by the system size used up to the experimental solubilities. We first calculated individual ion activity coefficients (IIACs) for Na+ and Cl– from the free energy change due to the gradual insertion of a single cation or anion into the solution, accompanied by a neutralizing background. We obtained the salt solubilities by comparing the chemical potentials in solution with solid NaCl chemical potentials calculated previously using the Einstein crystal method. Mean ionic activity coefficients obtained from the IIACs are in reasonable agreement with experimental data, with deviations increasing for solutions of higher methanol content. Predictions for the salt solubility are in surprisingly good agreement with experimental data, despite well-known challenges in the simultaneous calculation of activity coefficients and solubilities with classical MD simulations. The present study demonstrates that good predictions for these two important phase equilibrium properties can be obtained for mixed-solvent electrolyte solutions using existing nonpolarizable models and further suggests that the previously proposed single ion insertion technique can be extended to complex mixed-solvent solutions as well.

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Salts and 1‐propanol induced aqueous two‐phase systems: phase separation and application

Cited by 16 publications

References 59 publications

Assessment of extraction options for a next‐generation biofuel: Recovery of bio‐isobutanol from aqueous solutions

Assessment of extraction options for a next‐generation biofuel: Recovery of bio‐isobutanol from aqueous solutions

Techno-Economic Analysis of Upgrading Corn Stover-Based Acetone, n-Butanol, and Ethanol to Higher Ketones and Alcohols: Fuels or Fine Chemicals?

Activity Coefficients and Solubilities of NaCl in Water–Methanol Solutions from Molecular Dynamics Simulations

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