High Extraction Efficiency Research Articles

Highlyefficientrecovery of cobalt-ion containing waste deep eutectic electrolytes: a sustainable solvent extraction approach.

Efficient recovery of metals from secondary resources is essential to address resource shortages and environmental crises. The development of a cheap, environmentally friendly, and highly efficient recovery pathway is essential for resource retrieval. In this study, we propose a high-efficiency extraction approach utilizing bis(2,4,4-trimethylpentyl) phosphonic acid (Cyanex272) to recover cobalt from waste choline chloride/ethylene glycol (Ethaline) electrolyte containing Co(II) ions. By adjusting the water content of the system to modify the ligand of Co(II) ions, combined with pH adjustment, we achieved an extraction efficiency exceeding 99.9% for Co(II) ions. Subsequently, oxalic acid (OA) was added as a stripping agent to achieve a recovery efficiency of over 99.4% for cobalt. The extractant can be recycled more than 15 times after stripping. Impressively, more than 98.3% of the water-diluted Ethaline extraction raffinate was recovered through reduced pressure distillation while maintaining the structure of recovered Ethaline unchanged. This work provides an economical, efficient, and sustainable pathway for treating waste Ethaline electrolyte-containing metal ions.

Parallel Bayesian optimization of free-electron lasers based on laser wakefield accelerators

Abstract In this paper, the parallel Bayesian optimization algorithm is investigated for the simulation optimization of compact free electron lasers (FELs) driven by laser wakefield accelerators (LWFAs). The radiation energy serves as the objective function, which can be optimized to 25 μJ after several tens of iterations, initiating from random input samplings in soft x-ray regimes. The analysis of the FEL gain process has revealed that the localized properties of the electron beam (e beam) can be concurrently optimized, ensuring a high efficiency of energy extraction from the e beam. Our proposed scheme not only presents a viable design for compact FELs driven by LWFAs in the soft x-ray regime utilizing the start-to-end model, but also highlights the great potential of parallel Bayesian optimization algorithms for tackling the challenges associated with costly and complex black-box optimization problems.

Angular Momentum Superposition Beams‐Based Interferometer

AbstractOrbital‐angular‐momentum (OAM) beams‐based interferometer has been found various applications in high‐precision metrology. However, most of its applications reported to date are limited to 1D ones, and the simultaneous measurements for multidimensional displacement have rarely been explored. Here an angular momentum superposition beams‐based interferometer is first proposed and demonstrated, in which the phases‐changes induced by rotational and linear displacements, are independently carried by an angular momentum superposition (SOAMS) beam containing different spin and orbital angular momenta, and thus can be simultaneously detected. In accordance with the proposed interferometry, a new phase‐demodulation method is experimentally demonstrated, which is operated in the domain of the OAM complex spectrum and thus enables accurate yet high efficient extraction of the phase‐change information from the captured OAM interferograms. As typical results, rotational and linear displacements are simultaneously and accurately measured with accuracies of 2.89° and 16.04 nm, respectively. The proposed interferometry and the corresponding phase demodulation method may open a new way to realize the OAM beams‐based multidimensional metrology.

Dehydration-enhanced Ion Recognition of Triazine Covalent Organic Frameworks for High-resolution Li+/Mg2+ Separation.

The precise and rapid extraction of lithium from salt-lake brines is critical to meeting the global demand for lithium resources. However, it remains a major challenge to design ion-transport membranes with accurate recognition and fast transport path for the target ion. Here, we report a triazine covalent organic framework (COF) membrane with high resolution for Li+ and Mg2+ that enables fast Li+ transport while almost completely inhibiting Mg2+ permeation. The remarkably high rejection of Mg2+ by the COF membrane is achieved via imposed ion dehydration and the construction of the energy well. The proper hydrophilic environment of the COF channel promotes the dissociation of Li+ from the negatively charged functional groups, allowing Li+ for hopping transport supported by the sulfonate side-chains to shorten the diffusion path of Li+. Under high-salinity electrodialysis conditions, the COF membrane demonstrates robust Li+/Mg2+ separation performance (No Mg2+ were detected in the collected solution), achieving efficient lithium recovery and high product purity (Li2CO3: 99.3%). This membrane design strategy enables high energy efficiency and powerful lithium extraction in the electrodialysis lithium extraction process, and can be generalized to other energy and separation related membranes.

Study of Ultrasound-Assisted Low-Pressure Closed Acid Digestion Method for Trace Element Determination in Rock Samples by Inductively Coupled Plasma Mass Spectrometry.

In this paper, a method of ultrasound-assisted low-pressure closed acid digestion followed by inductively coupled plasma mass spectrometry (ICP-MS) analysis was proposed for trace element quantification in rock samples. By using 1.5 mL of a binary acid mixture of HNO3-HF with a ratio of 2:1, rock powder samples of 50 mg were completely decomposed in 12 h at 140 °C after 4 h of ultrasonic treatment with or without pressure relief procedure. The element extraction efficiency of this method was evaluated via the yielded relative errors (REs) of the trace elements in a series of geological standard reference materials (SRMs) with compositions from basic to acidic. It was found that the contents of trace elements (i.e., 36 metal elements from Li to U) in basalt BCR-2, diabase W-2a, andesite AGV-2, granodiorite GSP-2, and granite GSR-1 were comparable with the reported reference values, giving REs with absolute values less than 10%. It was also found that clear solutions without sample powder residues by naked-eye observation can be obtained when using the low-pressure closed decomposition method without ultrasonic pretreatment. The quantification results, however, were found to be negatively biased for most of the studied trace elements, and, in particular, the content bias of Zr in SRM GSP-2 was down to -86.28% due to the low extraction efficiency of refractory minerals of the low-pressure closed digestion method. By applying this proposed digestion strategy, the decomposition property of the ternary combination of HNO3-HF-mannitol in terms of trace element quantification accuracy was also investigated. Results showed that the concentrations of trace elements in the studied SRMs were consistent with the reference values, giving REs within ±6.94%, which revealed that there was no deterioration of extraction efficiencies of trace elements and neglected mass interferences from mannitol. This study demonstrated the essential role of ultrasound irradiation in rock sample decomposition to achieve the high extraction efficiency of trace elements under a low-pressure environment, and the developed approach with promising future applications in geoscience exhibited considerable merits, including a high extraction efficiency, feasible digestion process, less time consumption, and lower safety associated risks.

Metal-organic framework functionalized magnetic Nb2CTX for high enrichment of polychlorinated biphenyls in water prior to gas chromatography tandem mass spectrometry

As a typical kind of persistent organic pollutants, polychlorinated biphenyls (PCBs) may cause great harm to human health. Recently, MXene has gained considerable attention due to its specific properties for the removal of pollutants by various principles. Present work reported a new functionalized MXene material, NH2-MIL-88 modified magnetic Nb2CTX, for developing a facile and efficient magnetic solid phase extraction method for enrichment and sensitive detection of PCBs in environmental water samples. The adsorption mechanism and parameters that may impact the extraction efficiencies of PCBs were explored. Gas chromatography-tandem mass spectrometry was utilized to detect the enriched PCBs. The results demonstrated that nine PCBs possessed good linearities in the range of 0.005 ∼ 50 μg L-1 and 0.005∼ 40 μg L-1, respectively. The detection limits of PCBs were over range of 0.06 - 0.28 ng L-1. The adsorption of PCBs on NH2-MIL-88 modified magnetic Nb2CTX followed quasi-second-order kinetic and Langmuir adsorption isotherm models. The fortified recoveries in real water samples ranged from 87.6% to103.4% (n = 3), which confirmed that the established method owned merits such as simplicity, rapidness, robustness, and high extraction efficiencies, and might be utilized for the detection of trace PCBs in environmental water samples.

In-situ self-assemblied HTO/MXene/PSF hybrid membrane for high efficiency and selective lithium extraction from shale gas wastewater

<em>In-situ</em> self-assemblied HTO/MXene/PSF hybrid membrane for high efficiency and selective lithium extraction from shale gas wastewater

Efficient recovery of valuable metals from electroplating sludge smelting soot via a combined alkali roasting and acid-free aluminum salts leaching methods

Electroplating sludge smelting soot (ESSS), contains high-grade value metals (such as Zn, Sn, Pb, precious metals Au and Pt) and large amounts of harmful elements Br and S, which could potentially cause valuable resources wastage and environmental pollution, therefore requires responsible recycling. An efficient and eco-friendly process for the cascade recovery of Zn, Sn, Pb, and precious metals Au and Pt from ESSS was proposed, combining NaOH roasting and acid-free aluminum salts leaching. Optimal NaOH roasting conditions achieved high extraction efficiencies for Zn, Sn, and Pb, which were then separated via water leaching. A novel Al(NO3)3 + AlCl3 leaching system was developed to recover Au and Pt from the enriched residue. By optimizing the NaOH roasting conditions and the Al(NO3)3 + AlCl3 leaching conditions, the decomposition and conversion of 99.91 % Zn, 99.56 % Sn, and 98.72 % Pb in ESSS were achieved, simultaneously accomplishing the leaching of 87.89 % Au and 100 % Pt. Mechanisms of NaOH roasting and Al(NO3)3 + AlCl3 leaching were elucidated using XRD, SEM, ICP, XRF, and DFT calculations. Leaching kinetics of Au and Pt were also studied. Finally, Au and Pt were efficiently recovered from the leaching solution by lead powder replacement. This study provides a feasible and promising solution for the green and efficient recovery of valuable metals from ESSS.

Dispersive solid phase extraction of apixaban from human plasma samples prior to capillary electrophoresis determination using zirconium-based metal organic frameworks prepared by different modulator and solvent.

Here, a zirconium-based metal organic framework-dispersive solid phase extraction method was established as an efficient, robust, and accurate approach for quantifying apixabanin human plasma samples prior to capillary electrophoresis with diode array detection. Various types of metal organic frameworks based on UiO-66-NH2 were synthesized by altering modulators and solvents and applied as sorbents in the extraction procedure. Among the tested sorbents, UiO-66-NH2 prepared in dimethylformamide in the presence of acetic acid was found to be the best sorbent in this method for the extraction of apixaban with high extraction efficiency comparable to other types of UiO-66-NH2 metal organic frameworks. The extraction and preconcentration of apixaban were carried out by adding 5mg of synthesized sorbent to a 5mL sample solution, followed by vortexing for 3min. After discarding the supernatant, the adsorbed analyte was eluted from the sorbent surface using 60µL acetonitrile under vortexing for 2min. The effective parameters of the offered method were optimized and validated using a one-parameter-at-a- time strategy. The detection and quantification limits of the method were 9.9 and 32ng mL-1 in plasma and 1.5 and 4.9ng mL-1 in deionized water, respectively. The method was linear ranging from 4.9 to 1000ng mL-1 in deionized water and from 32 to 500ng mL-1 in plasma, respectively. The enrichment factor and extraction recovery values were 44% and 53%, respectively. The relative standard deviations were ≤6.2% for intra- and inter-day precisions. Finally, the proposed method was successfully employed to quantify apixaban in human plasma samples.

UiO-66 with missing cluster defects for high-efficient extraction and enrichment of benzoylurea insecticides.

The creation of defects in crystalline structures can tune metal-organic frameworks (MOFs) properties, such as improving their adsorptive and catalytic performance with producing more porosity and active sites. In this work, the bimetallic UiO-66 containing Zn and Zr was prepared. And then UiO-66 with missing cluster defects (UiO-66-1/3) were obtained by acid washing to remove the Zn nodes. UiO-66-1/3 was used as sorbent of dispersive solid-phase extraction (dSPE) to extract and enrich (BUs). Combination with high-performance liquid chromatography-diode array detector (HPLC-DAD) was developed to detect trace BUs in soil samples. Adsorption equilibrium can be reached in 3 min. The method possesses high enrichment factor (202-325), low detection limit (0.005-0.04 ng·mL-1), and wide linear range (0.02-200 ng·mL-1). In addition, the recovery rate of UiO-66-1/3 as an adsorbent was still higher than 95% after reused for 16 times. This work provides a new material for the enrichment and detection of benzoylurea insecticides in the environment.

Optimization and Analysis of Pyrolysis-Supercritical Fluid Extraction for Tobacco Waste Biomass

ABSTRACT A large amount of tobacco product waste is discarded directly, resulting in a waste of resources and environmental issues. Nicotine is a natural organic compound found in tobacco waste. As an important substance in treating neurological disorders, it is of high market value. Pyrolytic and supercritical fluid extraction is a method to extract nicotine from tobacco waste. We used the orthogonal experimental method to optimize the pyrolysis process of tobacco waste and found the optimal pyrolysis conditions to be the temperature of 450°C, time of 3 h, and catalyst ratio of 1:1.5. The mathematical model of extraction conditions and extraction rate of supercritical fluid extraction was established with R2 = 0.9884. This model showed that the extraction rate of nicotine could reach as high as 70.53%. The optimal conditions for nicotine extraction included the entraining agent concentration of 70%, temperature of 45°C, pressure of 30 MPa, and time of 2 hours. We also carried out response surface analysis to explore the relationship between extraction conditions and the extraction rate. According to our findings, entrainer concentration has a strong relationship with pressure. Ethanol can alter the microstructure of the substrate, increasing its porosity and thus reducing the embedding or adsorption depth of the nicotine molecules. As a result, the nicotine extraction efficiency is improved. Compared with traditional nicotine extraction process, the pyrolysis and supercritical fluid extraction has a higher extraction efficiency and less pollution.

Development of a Paper-Based Disposal Thin-Film Solid-Phase Microextraction Tool for the Quantification of Environmentally Hazardous 4-Chlorophenol in Water.

The presence of chlorinated compounds in water resources presents various environmental and health risks. Therefore, there is a precise need to develop a potential technique for fast and efficient monitoring of chlorinated contaminants in water due to environmental protection and regulation compliance. Here, we designed a paper-based thin-film solid-phase microextraction (TF-SPME) patch to estimate 4-chlorophenol (4-CRP), a widely known environmentally hazardous pollutant in water samples. We fabricated the microextraction patch on the paper support utilizing the thin film applicator for uniform coating using divinylbenzene, polydimethylsiloxane, and a multiwalled carbon nanotube (MW-CNT) composite recipe. To check the performance of our fabricated tool, we directly exposed the TF-SPME patches to standard solutions with various concentrations of 4-CRP in water and finally quantified the analyte by exploiting the gas chromatography-mass spectrometer. Our experiments demonstrated the high extraction efficiency of the paper-based TF-SPME analytical tool for the estimation of 4-CRP in water with a limit of detection of ∼10 ng/mL, suggesting the practical applicability of the technique to monitor the analyte within the recommended range. To check the feasibility of the proposed technique for rapid determination, we performed the calibration curve of the analyte in the concentration range of 100-10,000 ng/mL and finally derived the curve fitting equation for the estimation of an unknown amount of 4-CRP. This study demonstrated the feasibility of using a simple paper-based thin-film solid-phase microextraction patch as a sampling kit for monitoring the environmentally hazardous 4-CRP pollutant from water. In the future, the proposed analytical method may be useful for the rapid quantification of chlorinated compounds from the water matrix.

Deep Eutectic Solvent (TOPO/D2EHPA/Menthol) for Extracting Metals from Synthetic Hydrochloric Acid Leachates of NMC-LTO Batteries

The recycling of lithium-ion batteries is increasingly important for both resource recovery and environmental protection. However, the complex composition of cathode and anode materials in these batteries makes the efficient separation of metal mixtures challenging. Hydrometallurgical methods, particularly liquid extraction, provide an effective means of separating metal ions, though they require periodic updates to their extraction systems. This study introduces a hydrophobic deep eutectic solvent composed of trioctylphosphine oxide, di(2-ethylhexyl)phosphoric acid, and menthol, which is effective for separating Ti(IV), Co(II), Mn(II), Ni(II), and Li+ ions from hydrochloric acid leachates of NMC (LiNixMnyCo1−x−yO2) batteries with LTO (Li4Ti5O12) anodes. By optimising the molar composition of the trioctylphosphine oxide/di(2-ethylhexyl)phosphoric acid/menthol mixture to a 4:1:5 ratio, high extraction efficiency was achieved. The solvent demonstrated stability over 10 cycles, and conditions for its regeneration were successfully established. At room temperature, the DES exhibited a density of 0.89 g/mL and a viscosity of 56 mPa·s, which are suitable for laboratory-scale extraction processes. Experimental results from a laboratory setup with mixer-settlers confirmed the efficiency of separating Ti(IV) and Co(II) ions in the context of their extraction kinetics.

Sulfonic group functionalized task specific ionic liquid as catalyst for Biginelli reaction in water and Co2+/Ni2+ separation from their aqueous mixture

A new hydrophobic ionic liquid 1,3-dihexylimidazolium-5-sulfosalicylate [DHIm] + [5-SSA]− was synthesized and characterized. The sulfonic-functionalized IL was effectively employed in the Biginelli reaction under ultrasound irradiation. The [DHIm] + [5-SSA]− demonstrated efficient catalytic performance yielding up to 83% product. Additionally, the application of [DHIm] + [5-SSA]− in selective extraction of Co2+ and Ni2+ from their aqueous mixture has been successfully carried out. High extraction efficiency was observed for Co2+.

Optimization of extraction in supercritical fluids in obtaining Pouteria lucuma seed oil by response surface methodology and artificial neuronal network coupled with a genetic algorithm

When processing lucuma (Pouteria lucuma), waste such as shells and seeds is generated, which is a source of bioactive compounds. Recently, lucuma seed (LS), especially its oily fraction, has been studied for containing phytosterols and tocopherols, powerful antioxidants with health benefits. This study proposes lucuma seed oil (LSO) extraction using supercritical fluid (SCF) to improve the quality of the extract and minimize the environmental impact. LS was previously characterized, and the extraction parameters were optimized using a Box-Behnken design, considering temperature (40–60°C), pressure (100–300 bar), and CO2 flow rate (3–7 mL/min), applying the response surface methodology (RSM) and neural networks with genetic algorithm (ANN+GA). The optimal parameters were 45°C, 300 bar, and 6 mL/min, obtaining 97.35% of the total oil content. The RSM and ANN+GA models showed R2 values of 0.9891 and 0.9999 respectively, indicating that both models exhibited a good fit to the experimental data. However, ANN+GA provided a greater proportion of the total variability, which facilitates the identification of the optimal parameters for the extraction of oil from lucuma seeds. Compared to the Soxhlet method, the LSO obtained by SCF presented better acidity (4.127 mg KOH/g), iodine (100.294 g I2/100 g), and refraction indices (1.4710), as well as to a higher content of mono- and polyunsaturated fatty acids. Supercritical CO2 extraction is presented as a sustainable green alternative to Soxhlet extraction for extracting oil from lucuma seed due to its high extraction efficiency and similar fatty acid profile.

Enhancing the Efficiency and Sustainability of Producing Curcumin‐Infused Plant‐Based Milk Alternatives With a Two‐in‐One Post pH‐Driven Processing Strategy

ABSTRACTIncreasing food sustainability and health benefits is essential to meet the demands of a growing global population while minimizing environmental impact. This study used a green two‐in‐one post pH‐driven processing strategy to develop a sustainable and healthy plant‐based milk alternative. It achieved both extraction and encapsulation in one step by directly incorporating the health‐promoting curcumin from turmeric into soymilk. A high processing efficiency was observed, 94.2% ± 1.6%, with a high extraction efficiency of 96.4% ± 0.5%. Using raw turmeric instead of a purified curcumin significantly enhanced the sustainability in the use of raw materials, for example, reducing the CO2‐eq emissions by 22 times and energy use by 10 times, even with a very small percentage of curcumin (∼0.03 wt%) in the formulation. This strategy underscores the importance of using raw materials and minimizing processing steps to develop more sustainable foods. Additionally, the incorporation of curcumin was found to impart a yellow color to soymilk. No significant changes were observed in other physicochemical properties like particle size, zeta potential, and melting behavior, as most curcumin molecules were encapsulated within the lipid phase of soymilk. The curcumin‐infused soymilk powders also maintained excellent storage stability for 1 month under freezing temperature.

Molecular Dynamics of CO₂ Stripping Oil on Quartz Surfaces

The CO2-enhanced oil recovery (EOR) technology has the dual significance of enhancing oil recovery and realizing carbon storage in onshore and offshore oil and gas exploitation. This study investigates the adsorption of crude oil components on quartz surfaces and the microscopic mechanisms of CO2 stripping from crude oil using molecular dynamics simulations. A four-component model representing C6H14, benzene, resins, and asphaltenes was constructed to simulate the oil phase, while the quartz surface model was created using Materials Studio. Simulations were conducted under different temperature conditions to understand the distribution and adsorption behavior of crude oil components, as well as the impact of CO2 on the oil film at pressures up to 10 MPa. The results indicate that the resin–asphaltene interactions are significantly weakened at elevated temperatures, affecting the adsorption capacity. Furthermore, CO2 stripping primarily extracts light components such as C6H14 and aromatic hydrocarbons, while heavy components remain in the oil phase. The highest extraction efficiency and expansion effect of CO2 were observed at 35 °C, demonstrating optimal conditions for enhanced oil recovery through CO2 flooding. These findings provide insights into the effective use of CO2 for crude oil extraction and its interactions with oil components on a quartz substrate, which is crucial for optimizing CO2-enhanced oil recovery operations.

Efficient and green separation of phenolics by halogen free deep eutectic solvents

To deeply investigate the mechanism of deep eutectic solvents (DES) separation of phenolics from coal tar, three halogen free DESs were synthesized by using L-carnitine as the hydrogen bonding acceptor (HBA) combined with triethanolamine, ethylene glycol and formic acid as the hydrogen bonding donor (HBD). The effects of the mass ratio of these three DESs to phenol, extraction temperature, extraction time and other parameters on the extraction efficiency were investigated. Among them, DES3 synthesized by L-carnitine and formic acid exhibits a high extraction efficiency of 97.1 % and a low neutral oil entrained efficiency of 14 %. The microscopic interaction mechanism between DESs and phenol/toluene was investigated through quantum chemical calculations based on density functional theory. The results demonstrated that DES3 interacts with phenol through strong hydrogen bonding and van der Waals forces, as evidenced by an interaction energy of −62.24 kJ/mol, substantially higher than that with toluene (−37.61 kJ/mol). A variety of methods, including electrostatic potential (ESP) analysis, independent gradient model based on Hirshfeld partition (IGMH) analysis, and quantum theory of atoms in molecules (QTAIM) analysis, were used to further confirmed that DES3 has a stronger affinity and selectivity for phenol, laying a solid theoretical foundation for its application as an efficient and recyclable industrial extractant.

ZIF-8 derived carbon@3D-printed columns as efficient continuous-flow adsorbents of parabens from water

In this study, we report a novel and cost-effective solution for removing parabens from water by combining MOF-derived porous carbons and 3D printing. In addition to being easy to prepare, the resulting 3D-printed device, with a cube-array structure, can also be fabricated in a robust column format for flow-through extraction of pollutants. Using an in-situ growth method, ZIF-8 MOF was directly deposited onto a 3D-printed device, achieving a stable and durable integration of the MOF onto the device. After the carbonization process, fully functional devices were obtained, entirely coated with a zinc-free carbon layer derived from ZIF-8, exhibiting both micro- and mesoporosity. c-ZIF-8@3D-printed cubes exhibited fast adsorption kinetics in batch conditions, achieving over 90 % extraction of ethylparaben within just 1 h, thanks to the mesoporosity of the obtained ZIF-8 derived carbon, as well as the possibility of establishing π-π interactions between it and the pollutant. Continuous-flow experiments demonstrated that c-ZIF-8@3D-printed columns showed high extraction efficiency for four parabens, maintaining removal rates between 83–92 % after 10 cycles. The columns also showed easy regeneration, enabling multiple uses of the 3D support and enhancing both the sustainability and efficiency of the water treatment process. Finally, the c-ZIF-8@3D-printed column was also tested for the simultaneous extraction of parabens from different real water samples with excellent results, confirming its potential for practical applications in water treatment.

Separation of biomass furans by terpenoid-based hydrophobic deep eutectic solvents probed by molecular dynamics simulations and liquid-liquid extraction experiments

Preparing furfuryl alcohol from furfural using liquid-phase hydrogenation as a raw material contains a certain amount of furfuryl alcohol (FA) and furfural (FF) in the final process wastewater, which needs to be separated. This article uses FA and FF aqueous solutions as model wastewater and hydrophobic eutectic solvents (HDESs) as extractants. Nine HDESs are prepared with three terpene compounds and three fatty acids in different proportions. Liquid extraction experiments are carried out to determine the best HDESs for separating this wastewater. Furthermore, the optimal operating conditions were determined by changing the extraction temperature, the initial concentrations of FA and FF in the wastewater, and the amount of HDESs used. Simultaneously, the ability of hydrogen bond acceptors (HBA) and hydrogen bond donors (HBD) to form hydrogen bonds and the affinity or repulsion between components were predicted using quantum chemistry (QC) calculations. The microscopic mechanism of action between HDES and the wastewater model was analysed using molecular dynamics (MD) simulation to study the effect of extraction conditions on the separation effect. Ultimately, the experimental results showed that the LLE of low-concentration (0.2 %) wastewater model with Mth-Dec (2:1) at 40 °C had a high extraction efficiency for FA and FF, which were 84.81 % and 87.49 %, respectively. The experimental results correspond to the high selectivity for FA and FF (3.30 and 3.88, respectively) in the molecular modelling results, indicating that the method proposed in this paper can be used to study related separation problems.