Effects of ultrasonic-assisted extraction on bioactive compounds,volatile flavors and antioxidant activities of vine tea water extracts

Background:Ampelopsis grossedentata,vine tea,which is the tea alternative beverages in China.In vine tea processing,a large amount of broken tea is produced,which has low commercial value.Methods:This study investigates the influence of different extraction methods(room temperature water extraction,boiling water extraction,ultrasonic-assisted room temperature water extraction,and ultrasonic-assisted boiling water extraction,referred to as room temperature water extraction(RE),boiling water extraction(BE),ultrasonic assistance at room temperature water extraction(URE),and ultrasonic assistance in boiling water extraction(UBE))on the yield,dihydromyricetin(DMY)content,free amino acid composition,volatile aroma components,and antioxidant properties of vine tea extracts.Results:A notable influence of extraction temperature on the yield of vine tea extracts(P<0.05),with BE yielding the highest at 43.13±0.26%,higher than that of RE(34.29±0.81%).Ultrasound-assisted extraction significantly increased the DMY content of the extracts(P<0.05),whereas DMY content in the RE extracts was 59.94±1.70%,that of URE reached 66.14±2.78%.Analysis revealed 17 amino acids,with L-serine and aspartic acid being the most abundant in the extracts,nevertheless ultrasound-assisted extraction reduced total free amino acid content.Gas chromatography-mass spectrometry analysis demonstrated an increase in the diversity and quantity of compounds in the vine tea water extracts obtained through ultrasonic-assisted extraction.Specifically,69 and 68 volatile compounds were found in URE and UBE extracts,which were higher than the number found in RE and BE extracts.In vitro,antioxidant activity assessments revealed varying antioxidant capacities among different extraction methods,with RE exhibiting the highest DPPH scavenging rate,URE leading in ABTS•+free radical scavenging,and BE demonstrating superior ferric ion reducing antioxidant activity.Conclusion:The findings suggest that extraction methods significantly influence the chemical composition and antioxidant properties of vine tea extracts.Ultrasonic-assisted extraction proved instrumental in elevating the DMY content in vine tea extracts,thereby enriching its flavor profile while maintaining its antioxidant properties.

Optimization of lithium extraction solar pond in Zabuye Salt Lake: Theoretical calculation combined with field experiments

This research optimized the structure of lithium extraction solar ponds to enhance the crystallization rate and yield of Li_(2)CO_(3).Using the response surface methodology in Design-Expert 10.0.3,the authors conducted experiments to investigate the influence of four factors related to solar pond structure on the crystallization of Li_(2)CO_(3) and their pairwise interactions.Computational Fluid Dynamics(CFD)simulations of the flow field within the solar pond were performed using COMSOL Multiphysics software to compare temperature distributions before and after optimization.The results indicate that the optimal structure for lithium extraction from the Zabuye Salt Lake solar ponds includes UCZ(Upper Convective Zone)thickness of 53.63 cm,an LCZ(Lower Convective Zone)direct heating temperature of 57.39℃,a CO32−concentration of 32.21 g/L,and an added soda ash concentration of 6.52 g/L.Following this optimized pathway,the Li_(2)CO_(3) precipitation increased by 7.34% compared to the initial solar pond process,with a 33.33% improvement in lithium carbonate crystallization rate.This study demonstrates the feasibility of optimizing lithium extraction solar pond structures,offering a new approach for constructing such ponds in salt lakes.It provides valuable guidance for the efficient extraction of lithium resources from carbonate-type salt lake brines.

Nickel extraction from nickel laterites: Processes, resources, environment and cost

With the development of the new energy industry and the depletion of nickel sulfide ore resources,laterite nickel ore has become the main source of primary nickel,and nickel for power batteries has become a new growth point in consumption.This paper systematically summarizes the processes,parameters,products,recovery rates,environmental indicators,costs,advantages,disadvantages and the latest research progress of mainstream nickel extraction processes from laterite nickel ore.It also provides a comparative analysis of the environmental impact and economic efficiency of different nickel extraction processes.It is found that the current nickel extraction processes from laterite nickel ore globally for commercial production mainly include the RKEF process for producing ferronickel and the HPAL process for producing intermediate products.The former accounts for about 80%of laterite nickel ore production.Compared to each other,the investment cost per ton of nickel metal production capacity for the RKEF is about 43000$,with an operational cost of about 16000$per ton of nickel metal and a total nickel recovery rate of 77%–90%.Its products are mainly used in stainless steels.For the HPAL process,the investment cost per ton of nickel metal production capacity is about 56000$,with an operational cost of about 15000$per ton of nickel metal and a total nickel recovery rate of 83%–90%.Its products are mainly used in power batteries.The significant differences between the two lies in energy consumption and carbon emissions,with the RKEF being 2.18 and 2.37 times that of the HPAL,respectively.Although the use of clean energy can greatly reduce the operational cost and environmental impact of RKEF,if RKEF is converted to producing high Ni matte,its economic and environmental performance still cannot match that of the HPAL and oxygen-enriched side-blown processes.Therefore,it can be inferred that with the increasing demand for nickel in power batteries,HPAL and oxygen-enriched side blowing processes will play a greater role in laterite nickel extraction.

Femtosecond laser small incision lenticule extraction on binocularity for myopia with glasses-free 3D technique

AIM:To evaluate the effect of femtosecond laser small incision lenticule extraction(SMILE)on the binocular visual function in myopic patients with glasses-free threedimensional(3D)technique.METHODS:Totally 50 myopic patients(39 females and 11 males)with SMILE were enrolled in this prospective study.The glasses-free 3D technique was used to evaluate the binocular visual function in these subjects including static stereopsis,dynamic stereopsis,foveal suppression,and binocular balance point of signal to noise ratio(s/n ratio).All subjects received measurements in 1d before operation,and 1d,1wk,and 1mo postoperatively.RESULTS:Both static and dynamic stereopsis showed no significant difference after SMILE.The foveal suppression improved significantly 1wk and 1mo after SMILE(P=0.005 and P=0.007 respectively).The binocular balance point of signal to noise ratio showed a significant improvement 1d,1wk and 1mo after SMILE for both eyes(P<0.001 for each eye respectively).CONCLUSION:Glasses-free 3D technique can be used to evaluate the effect of SMILE on the binocular visual function in myopic patients perceptively,and SMILE can improve both foveal suppression and binocular imbalance in these patients.

Effects of conductive agent type on lithium extraction from salt lake brine with LiFePO_(4) electrodes

Electrochemical lithium extraction from salt lakes is an effective strategy for obtaining lithium at a low cost.Nevertheless,the elevated Mg:Li ratio and the presence of numerous coexisting ions in salt lake brines give rise to challenges,such as prolonged lithium extraction periods,diminished lithium extraction efficiency,and considerable environmental pollution.In this work,Li FePO4(LFP)served as the electrode material for electrochemical lithium extraction.The conductive network in the LFP electrode was optimized by adjusting the type of conductive agent.This approach resulted in high lithium extraction efficiency and extended cycle life.When the single conductive agent of acetylene black(AB)or multiwalled carbon nanotubes(MWCNTs)was replaced with the mixed conductive agent of AB/MWCNTs,the average diffusion coefficient of Li+in the electrode increased from 2.35×10^(-9)or 1.77×10^(-9)to 4.21×10^(-9)cm^(2)·s^(-1).At the current density of 20 mA·g^(-1),the average lithium extraction capacity per gram of LFP electrode increased from 30.36 mg with the single conductive agent(AB)to 35.62 mg with the mixed conductive agent(AB/MWCNTs).When the mixed conductive agent was used,the capacity retention of the electrode after 30 cycles reached 82.9%,which was considerably higher than the capacity retention of 65.8%obtained when the single AB was utilized.Meanwhile,the electrode with mixed conductive agent of AB/MWCNTs provided good cycling performance.When the conductive agent content decreased or the loading capacity increased,the electrode containing the mixed conductive agent continued to show excellent electrochemical performance.Furthermore,a self-designed,highly efficient,continuous lithium extraction device was constructed.The electrode utilizing the AB/MWCNT mixed conductive agent maintained excellent adsorption capacity and cycling performance in this device.This work provides a new perspective for the electrochemical extraction of lithium using LFP electrodes.

A comprehensive review of existing corpora and methods for creating annotated corpora for event extraction tasks

Purpose:The purpose of this study is to serve as a comprehensive review of the existing annotated corpora.This review study aims to provide information on the existing annotated corpora for event extraction,which are limited but essential for training and improving the existing event extraction algorithms.In addition to the primary goal of this study,it provides guidelines for preparing an annotated corpus and suggests suitable tools for the annotation task.Design/methodology/approach:This study employs an analytical approach to examine available corpus that is suitable for event extraction tasks.It offers an in-depth analysis of existing event extraction corpora and provides systematic guidelines for researchers to develop accurate,high-quality corpora.This ensures the reliability of the created corpus and its suitability for training machine learning algorithms.Findings:Our exploration reveals a scarcity of annotated corpora for event extraction tasks.In particular,the English corpora are mainly focused on the biomedical and general domains.Despite the issue of annotated corpora scarcity,there are several high-quality corpora available and widely used as benchmark datasets.However,access to some of these corpora might be limited owing to closed-access policies or discontinued maintenance after being initially released,rendering them inaccessible owing to broken links.Therefore,this study documents the available corpora for event extraction tasks.Research limitations:Our study focuses only on well-known corpora available in English and Chinese.Nevertheless,this study places a strong emphasis on the English corpora due to its status as a global lingua franca,making it widely understood compared to other languages.Practical implications:We genuinely believe that this study provides valuable knowledge that can serve as a guiding framework for preparing and accurately annotating events from text corpora.It provides comprehensive guidelines for researchers to improve the quality of corpus annotations,especially for event extraction tasks across various domains.Originality/value:This study comprehensively compiled information on the existing annotated corpora for event extraction tasks and provided preparation guidelines.

A Joint Entity Relation Extraction Model Based on Relation Semantic Template Automatically Constructed

The joint entity relation extraction model which integrates the semantic information of relation is favored by relevant researchers because of its effectiveness in solving the overlapping of entities,and the method of defining the semantic template of relation manually is particularly prominent in the extraction effect because it can obtain the deep semantic information of relation.However,this method has some problems,such as relying on expert experience and poor portability.Inspired by the rule-based entity relation extraction method,this paper proposes a joint entity relation extraction model based on a relation semantic template automatically constructed,which is abbreviated as RSTAC.This model refines the extraction rules of relation semantic templates from relation corpus through dependency parsing and realizes the automatic construction of relation semantic templates.Based on the relation semantic template,the process of relation classification and triplet extraction is constrained,and finally,the entity relation triplet is obtained.The experimental results on the three major Chinese datasets of DuIE,SanWen,and FinRE showthat the RSTAC model successfully obtains rich deep semantics of relation,improves the extraction effect of entity relation triples,and the F1 scores are increased by an average of 0.96% compared with classical joint extraction models such as CasRel,TPLinker,and RFBFN.

Extraction of the Residual Polycyclic Aromatic Hydrocarbons in the Long-term Contaminated Soil in the Field

[Objective] The aim of this study was to find a better method to exactly quantify the residual polycyclic aromatic hydrocarbons（PAHs）in the long-term contaminated soil in the field so as to provide basis for the remediation for PAHs contaminated soil.[Method]The comparisons of soxhlet extraction,ultrasonic extraction and shaking extraction were studied in the agricultural soil irrigated with oil sewage over a long period of time.[Result]The total PAHs extracted by soxhlet extraction were the highest（6 873.7 μg/kg）,followed by shaking extraction（6 698.8 μg/kg）and ultrasonic extraction（5 737.6 μg/kg）.Among these methods,the highest extracted 4 and 6 rings PAHs were in the soxhlet extraction,the highest extracted 2 and 5 rings PAHs were in the shaking extraction,and the highest extracted 3 rings PAHs were in the ultrasonic extraction.[Conclusion]This study had provided basis for the selection of the assessment method of residual PAHs in the field soil.

Preferentially selective extraction of lithium from spent LiCoO_(2)cathodes by medium-temperature carbon reduction roasting

Lithium recovery from spent lithium-ion batteries(LIBs)have attracted extensive attention due to the skyrocketing price of lithium.The medium-temperature carbon reduction roasting was proposed to preferential selective extraction of lithium from spent Li-CoO_(2)(LCO)cathodes to overcome the incomplete recovery and loss of lithium during the recycling process.The LCO layered structure was destroyed and lithium was completely converted into water-soluble Li2CO_(3)under a suitable temperature to control the reduced state of the cobalt oxide.The Co metal agglomerates generated during medium-temperature carbon reduction roasting were broken by wet grinding and ultrasonic crushing to release the entrained lithium.The results showed that 99.10%of the whole lithium could be recovered as Li2CO_(3)with a purity of 99.55%.This work provided a new perspective on the preferentially selective extraction of lithium from spent lithium batteries.

A Review on Sources,Extractions and Analysis Methods of a Sustainable Biomaterial:Tannins

Condensed and hydrolysable tannins are non-toxic natural polyphenols that are a commercial commodity industrialized for tanning hides to obtain leather and for a growing number of other industrial applications mainly to substitute petroleum-based products.They are a definite class of sustainable materials of the forestry industry.They have been in operation for hundreds of years to manufacture leather and now for a growing number of applications in a variety of other industries,such as wood adhesives,metal coating,pharmaceutical/medical applications and several others.This review presents the main sources,either already or potentially commercial of this forestry by-materials,their industrial and laboratory extraction systems,their systems of analysis with their advantages and drawbacks,be these methods so simple to even appear primitive but nonetheless of proven effectiveness,or very modern and instrumental.It constitutes a basic but essential summary of what is necessary to know of these sustainable materials.In doing so,the review highlights some of the main challenges that remain to be addressed to deliver the quality and economics of tannin supply necessary to fulfill the industrial production requirements for some materials-based uses.

Experimental investigation on coal pore-fracture variation and fractal characteristics synergistically affected by solvents for improving clean gas extraction

Chemical solvents instead of pure water being as hydraulic fracturing fluid could effectively increase permeability and improve clean methane extraction efficiency.However,pore-fracture variation features of lean coal synergistically affected by solvents have not been fully understood.Ultrasonic testing,nuclear magnetic resonance analysis,liquid phase mass spectrometry was adopted to comprehensively analyze pore-fracture change characteristics of lean coal treated by combined solvent(NMP and CS_(2)).Meanwhile,quantitative characterization of above changing properties was conducted using geometric fractal theory.Relationship model between permeability,fractal dimension and porosity were established.Results indicate that the end face fractures of coal are well developed after CS2and combined solvent treatments,of which,end face box-counting fractal dimensions range from 1.1227 to 1.4767.Maximum decreases in ultrasonic longitudinal wave velocity of coal affected by NMP,CS_(2)and combined solvent are 2.700%,20.521%,22.454%,respectively.Solvent treatments could lead to increasing amount of both mesopores and macropores.Decrease ratio of fractal dimension Dsis 0.259%–2.159%,while permeability increases ratio of NMR ranges from 0.1904 to 6.4486.Meanwhile,combined solvent could dissolve coal polar and non-polar small molecules and expand flow space.Results could provide reference for solvent selection and parameter optimization of permeability-enhancement technology.

Feature extraction for machine learning-based intrusion detection in IoT networks

A large number of network security breaches in IoT networks have demonstrated the unreliability of current Network Intrusion Detection Systems(NIDSs).Consequently,network interruptions and loss of sensitive data have occurred,which led to an active research area for improving NIDS technologies.In an analysis of related works,it was observed that most researchers aim to obtain better classification results by using a set of untried combinations of Feature Reduction(FR)and Machine Learning(ML)techniques on NIDS datasets.However,these datasets are different in feature sets,attack types,and network design.Therefore,this paper aims to discover whether these techniques can be generalised across various datasets.Six ML models are utilised:a Deep Feed Forward(DFF),Convolutional Neural Network(CNN),Recurrent Neural Network(RNN),Decision Tree(DT),Logistic Regression(LR),and Naive Bayes(NB).The accuracy of three Feature Extraction(FE)algorithms is detected;Principal Component Analysis(PCA),Auto-encoder(AE),and Linear Discriminant Analysis(LDA),are evaluated using three benchmark datasets:UNSW-NB15,ToN-IoT and CSE-CIC-IDS2018.Although PCA and AE algorithms have been widely used,the determination of their optimal number of extracted dimensions has been overlooked.The results indicate that no clear FE method or ML model can achieve the best scores for all datasets.The optimal number of extracted dimensions has been identified for each dataset,and LDA degrades the performance of the ML models on two datasets.The variance is used to analyse the extracted dimensions of LDA and PCA.Finally,this paper concludes that the choice of datasets significantly alters the performance of the applied techniques.We believe that a universal(benchmark)feature set is needed to facilitate further advancement and progress of research in this field.

Automatic Extraction Method of 3D Feature Guidelines for Complex Cultural Relic Surfaces Based on Point Cloud

Cultural relics line graphic serves as a crucial form of traditional artifact information documentation,which is a simple and intuitive product with low cost of displaying compared with 3D models.Dimensionality reduction is undoubtedly necessary for line drawings.However,most existing methods for artifact drawing rely on the principles of orthographic projection that always cannot avoid angle occlusion and data overlapping while the surface of cultural relics is complex.Therefore,conformal mapping was introduced as a dimensionality reduction way to compensate for the limitation of orthographic projection.Based on the given criteria for assessing surface complexity,this paper proposed a three-dimensional feature guideline extraction method for complex cultural relic surfaces.A 2D and 3D combined factor that measured the importance of points on describing surface features,vertex weight,was designed.Then the selection threshold for feature guideline extraction was determined based on the differences between vertex weight and shape index distributions.The feasibility and stability were verified through experiments conducted on real cultural relic surface data.Results demonstrated the ability of the method to address the challenges associated with the automatic generation of line drawings for complex surfaces.The extraction method and the obtained results will be useful for line graphic drawing,displaying and propaganda of cultural relics.

Prediction of dispersed phase holdup in pulsed disc and doughnut solvent extraction columns under different mass transfer conditions

Using experimental data from a number of pulsed disc and doughnut solvent extraction columns, a unified correla- tion for the prediction of dispersed phase holdup that considers the effects of mass transfer is presented. Pulsed disc and doughnut solvent extraction columns （PDDC） have been used for a range of important applications such as ura- nium extraction and nuclear fuel recycling. Although the dispersed phase holdup in a PDDC has been presented by some researchers, there is still the need to develop a robust correlation that can predict the experimental dispersed phase holdup over a range of operating conditions including the effects of mass transfer direction. In this study, dis- persed phase holdup data from different literature sources for a PDDC were used to refit constants for the correlation presented by Kumar and Hartland lind. Eng. Chem. Res.,27 （1988）,131-138] which did not consider the effect of col- umn geometry. In order to incorporate the characteristic length of the PDDC （i.e. the plate spacing）, the unified cor- relation for holdup proposed by Kumar and Hartland based on data from eight different types of columns [Ind. Eng. Chem. Res.,34 （1995） 3925-3940] was refitted to the PDDC data. New constants have been presented for each hold- up correlation for a PDDC based on regression analysis using published holdup data from PDDCs that cover a range of onerating conditions and nhwical nronerties and consider the direction of mass transfer.

Intelligent extraction of road cracks based on vehicle laser point cloud and panoramic sequence images

In light of the limited efficacy of conventional methods for identifying pavement cracks and the absence of comprehensive depth and location data in two-dimensional photographs,this study presents an intelligent strategy for extracting road cracks.This methodology involves the integration of laser point cloud data obtained from a vehicle-mounted system and a panoramic sequence of images.The study employs a vehicle-mounted LiDAR measurement system to acquire laser point cloud and panoramic sequence image data simultaneously.A convolutional neural network is utilized to extract cracks from the panoramic sequence image.The extracted sequence image is then aligned with the laser point cloud,enabling the assignment of RGB information to the vehicle-mounted three dimensional(3D)point cloud and location information to the two dimensional(2D)panoramic image.Additionally,a threshold value is set based on the crack elevation change to extract the aligned roadway point cloud.The three-dimensional data pertaining to the cracks can be acquired.The experimental findings demonstrate that the use of convolutional neural networks has yielded noteworthy outcomes in the extraction of road cracks.The utilization of point cloud and image alignment techniques enables the extraction of precise location data pertaining to road cracks.This approach exhibits superior accuracy when compared to conventional methods.Moreover,it facilitates rapid and accurate identification and localization of road cracks,thereby playing a crucial role in ensuring road maintenance and traffic safety.Consequently,this technique finds extensive application in the domains of intelligent transportation and urbanization development.The technology exhibits significant promise for use in the domains of intelligent transportation and city development.

Chemically bonded BiVO_(4)/Bi_(19)Cl_(3)S_(27) heterojunction with fast hole extraction dynamics for continuous CO_(2) photoreduction

Surface charge localization and inferior charge transfer efficiency seriously restrict the supply of reactive hydrogen and the reaction dynamics of CO_(2) photoreduction performance of photocatalysts.Herein,chemically bonded BiVO_(4)/Bi_(19)Cl_(3)S_(27)(BVO/BCS)S-scheme heterojunction with a strong internal electric field is designed.Experimental and density function theory calculation results confirm that the elaborated heterojunction accelerates the vectorial migration of photogenerated charges from BiVO_(4) to Bi_(19)Cl_(3)S_(27) via the interfacial chemical bonding interactions(i.e.,Bi-O and Bi-S bonds)between Bi atoms of BVO and S atoms of BCS or Bi atoms of BCS and O atoms of BVO under light irradiation,breaking the interfacial barrier and surface charge localization of Bi_(19)Cl_(3)S_(27),and further decreasing the energy of reactive hydrogen generation,CO_(2) absorption and activation.The separation efficiency of photogenerated carriers is much more efficient than that counterpart individual in BVO/BCS S-scheme heterojunction system.As a result,BVO/BCS heterojunction exhibits a significantly improved continuous photocatalytic performance for CO_(2) reduction and the 24 h CO yield reaches 678.27μmol⋅g^(-1).This work provides an atomic-level insight into charge transfer kinetics and CO_(2) reduction mechanism in S-scheme heterojunction.

Research advances in enhanced coal seam gas extraction by controllable shock wave fracturing

With the continuous increase of mining in depth,the gas extraction faces the challenges of low permeability,great ground stress,high temperature and large gas pressure in coal seam.The controllable shock wave(CSW),as a new method for enhancing permeability of coal seam to improve gas extraction,features in the advantages of high efficiency,eco-friendly,and low cost.In order to better utilize the CSW into gas extraction in coal mine,the mechanism and feasibility of CSW enhanced extraction need to be studied.In this paper,the basic principles,the experimental tests,the mathematical models,and the on-site tests of CSW fracturing coal seams are reviewed,thereby its future research directions are provided.Based on the different media between electrodes,the CSW can be divided into three categories:hydraulic effect,wire explosion and excitation of energetic materials by detonating wire.During the process of propagation and attenuation of the high-energy shock wave in coal,the shock wave and bubble pulsation work together to produce an enhanced permeability effect on the coal seam.The stronger the strength of the CSW is,the more cracks created in the coal is,and the greater the length,width and area of the cracks being.The repeated shock on the coal seam is conducive to the formation of complex network fracture system as well as the reduction of coal seam strength,but excessive shock frequency will also damage the coal structure,resulting in the limited effect of the enhanced gas extraction.Under the influence of ground stress,the crack propagation in coal seam will be restrained.The difference of horizontal principal stress has a significant impact on the shape,propagation direction and connectivity of the CSW induced cracks.The permeability enhancement effect of CSW is affected by the breakage degree of coal seam.The shock wave is absorbed by the broken coal,which may hinder the propagation of CSW,resulting in a poor effect of permeability enhancement.When arranging two adjacent boreholes for CSW permeability enhancement test,the spacing of boreholes should not be too close,which may lead to negative pressure mutual pulling in the early stage of drainage.At present,the accurate method for effectively predicting the CSW permeability enhanced range should be further investigated.

Synergistic extraction and separation of valuable elements from high-alumina fly ash with carbochlorination method

A novel process was proposed for synergistic extraction and separation of valuable elements from high-alumina fly ash.A thermodynamic analysis revealed that to achieve effective carbochlorination,it is crucial to conduct carbochlorination of the fly ash within the temperature range from 700 to 1000℃.The experimental results demonstrated that under the optimal conditions,the carbochlorination efficiency for Al,Si,Ca,Ti,and Mg exceeded 81.18%,67.62%,58.87%,82.15%,and 59.53%,respectively.The XRD patterns indicated that Al and Si in the mullite phase(Al_(6)Si_(2)O_(13))were chlorinated during the carbochlorination process,resulting in the formation of mullite mesophases(Al_(4.75)Si_(1.25)O_(9.63) and Al_(1.83)Si_(1.08)O_(4.85)).After the carbochlorination process,Al was accumulated as AlCl_(3) in the condenser,while SiCl_(4) and TiCl_(4) were enriched in the exhaust gas,and CaCl_(2),MgCl_(2),and unreacted oxides remained in the residue for further recycling.

Insight into the experiment and extraction mechanism for separating carbazole from anthracene oil with quaternary ammonium-based deep eutectic solvents

Carbazole is an irreplaceable basic organic chemical raw material and intermediate in industry.The separation of carbazole from anthracene oil by environmental benign solvents is important but still a challenge in chemical engineering.Deep eutectic solvents (DESs) as a sustainable green separation solvent have been proposed for the separation of carbazole from model anthracene oil.In this research,three quaternary ammonium-based DESs were prepared using ethylene glycol (EG) as hydrogen bond donor and tetrabutylammonium chloride (TBAC),tetrabutylammonium bromide or choline chloride as hydrogen bond acceptors.To explore their extraction performance of carbazole,the conductor-like screening model for real solvents (COSMO-RS) model was used to predict the activity coefficient at infinite dilution (γ^(∞)) of carbazole in DESs,and the result indicated TBAC:EG (1:2) had the stronger extraction ability for carbazole due to the higher capacity at infinite dilution (C^(∞)) value.Then,the separation performance of these three DESs was evaluated by experiments,and the experimental results were in good agreement with the COSMO-RS prediction results.The TBAC:EG (1:2) was determined as the most promising solvent.Additionally,the extraction conditions of TBAC:EG (1:2) were optimized,and the extraction efficiency,distribution coefficient and selectivity of carbazole could reach up to 85.74%,30.18 and 66.10%,respectively.Moreover,the TBAC:EG (1:2) could be recycled by using environmentally friendly water as antisolvent.In addition,the separation performance of TBAC:EG (1:2) was also evaluated by real crude anthracene,the carbazole was obtained with purity and yield of 85.32%,60.27%,respectively.Lastly,the extraction mechanism was elucidated byσ-profiles and interaction energy analysis.Theoretical calculation results showed that the main driving force for the extraction process was the hydrogen bonding ((N–H...Cl) and van der Waals interactions (C–H...O and C–H...π),which corresponding to the blue and green isosurfaces in IGMH analysis.This work presented a novel method for separating carbazole from crude anthracene oil,and will provide an important reference for the separation of other high value-added products from coal tar.

Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.