CHEMICAL ENGINEERING SCIENCE
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2023
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IF 4.7
Zhen Song,Jiahui Chen,Hao Qin,Zhiwen Qi,Kai Sundmacher
Although eutectic solvents (ESs) have received considerable attention as sustainable process fluids for various applications, discovering novel ESs remains challenging as computational methods for predicting the formation of eutectics are still scarce. In the present work, both the original and modified UNIFAC models are evaluated and extended for predicting the solid–liquid equilibria (SLE) of ES systems. The applicability of the two versions of UNIFAC models is first evaluated based on the SLE of 25 ES systems composed of only conventional components. Motivated by the good evaluation results, the SLE of 50 ES systems involving one salt component are employed to extend the UNIFAC models to include novel salt-component-related functional groups. The obtained models cover widely-reported salt components of choline/tetraalkylammonium chloride/bromide and conventional components of fatty alcohols and fatty/dicarboxylic/α-hydroxy acids. A theoretical design of novel ESs in a large scale is performed with the best-performing model extension, wherein four designed ES systems are validated experimentally.
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MOLECULES
·
2023
·Vol. 28
·期 12
·4723
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IF 4.6
Rongxiu Qin,Haiyan Chen,Rusi Wen,Guiqing Li,Zhonglei Meng
To investigate the synergistic catalytic effects of boric acid and α-hydroxycarboxylic acids (HCAs), we analyzed and measured the effects of the complexation reactions between boric acid and HCAs on the ionization equilibrium of the HCAs. Eight HCAs, glycolic acid, D-(−)-lactic acid, (R)-(−)-mandelic acid, D-gluconic acid, L-(−)-malic acid, L-(+)-tartaric acid, D-(−)-tartaric acid, and citric acid, were selected to measure the pH changes in aqueous HCA solutions after adding boric acid. The results showed that the pH values of the aqueous HCA solutions gradually decreased with an increase in the boric acid molar ratio, and the acidity coefficients when boric acid formed double-ligand complexes with HCAs were smaller than those of the single-ligand complexes. The more hydroxyl groups the HCA contained, the more types of complexes could be formed, and the greater the rate of change in the pH. The total rates of change in the pH of the HCA solutions were in the following order: citric acid > L-(−)-tartaric acid = D-(−)-tartaric acid > D-gluconic acid > (R)-(−)-mandelic acid > L-(−)-malic acid > D-(−)-lactic acid > glycolic acid. The composite catalyst of boric acid and tartaric acid had a high catalytic activity—the yield of methyl palmitate was 98%. After the reaction, the catalyst and methanol could be separated by standing stratification.Keywords:boric acid;α-hydroxycarboxylic acid;ionization equilibrium;fatty acid esterification;green synthesis
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INDUSTRIAL CROPS AND PRODUCTS
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2022
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IF 6.449
Jingshun Zhuang,Chao Liu,Yuanyuan Xia,Youming Li,Yi Hou,Chang Geun Yoo
Biomass pretreatment solvent plays an important role in the utilization of lignocellulosic feedstocks . In this study, the synergistic effects of peracetic acid and oxalic acid (PAO) were investigated as a pretreatment solvent for maximizing cellulose conversion as well as recovering biologically transformable lignin. The PAO pretreatment with 4.5% oxalic acid and 2.0% peracetic acid effectively fractionated lignin (85.4%) under a mild temperature (140 °C) and resulted in a high glucose release (758 mg/g biomass) from the pretreated eucalyptus . Also, the PAO pretreatment could fractionate and deconstruct lignin to low molecular weight (1231 g/mol) aromatics with 5.8% of β-O-4 linkages and a relatively uniform molecular weight distribution (PDI 1.3). The pretreatment using PAA and OA enhanced not only the hydrolysis of cellulose but also the recovery of biologically transformable lignin as a value-added coproduct for a successful biorefinery approach.
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JOURNAL OF NANOPARTICLE RESEARCH
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2022
·Vol. 24
·期 11
·1-10
·
IF 2.533
Di Jing,Gai Xikun,Jamakanga Ropafadzo,Lou Jie,Zhu Minzhi,Li Yin,Yang Ruiqin,Ma Qingxiang
To investigate the correlation between electrochemical performance and physicochemical properties, three types of 1D WO 3 nanostructures were fabricated by hydrothermal method using K 2 SO 4 , Na 2 SO 4 , and (NH 4 ) 2 SO 4 as capping agents. Hexagonal phase was obtained with the assistant of Na 2 SO 4 and (NH 4 ) 2 SO 4 , while monoclinic phase was developed using K 2 SO 4 as agent. WO 3 nanostructures prepared by (NH 4 ) 2 SO 4 and Na 2 SO 4 exhibited superior specific capacitance (400 F/g and 388 F/g) relative to WO 3 prepared by K 2 SO 4 (259 F/g), suggesting hexagonal phase is more suitable for energy storage. The nanostructures prepared using Na 2 SO 4 exhibited inferior rate performance compared with those obtained by (NH 4 ) 2 SO 4 due to low specific surface area and high crystallinity. The electrochemical performance demonstrated nanostructures prepared by (NH 4 ) 2 SO 4 was surface-controlled whereas those using Na 2 SO 4 and K 2 SO 4 were battery-type material. These findings raise the prospects of developing tungsten oxide for energy storage. Graphical abstract
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ACS Applied Nano Materials
·
2022
·
IF 6.14
Tao Xian,Hongqin Li,Xiaofeng Sun,Yashan Huo,Lijing Di,Chenyang Sun,Hua Yang
The In2O3 nanoparticles were homogeneously attached on the BiOBr nanoplate surface to obtain S-scheme In2O3/BiOBr heterojunction photocatalysts by a hydrothermal route. The purity, crystal structure, chemical state, morphology, light absorption property, and photogenerated charge behavior of composites were investigated by XRD, SEM, TEM, HRTEM, XPS, UV–vis DRS, PL, ESR, and electrochemical tests. The removal of dyes (acid orange 7 (AO7), acid orange 10 (AO10), and rhodamine B (RhB)) and Cr(VI) was employed to evaluate the photocatalytic performance of In2O3/BiOBr composites irradiated by simulated sunlight. The results indicate that the photocatalytic performance of BiOBr can be remarkably promoted after the decoration of In2O3 nanoparticles, and the best photocatalytic activity was achieved over an 8% In2O3/BiOBr sample. The 8% In2O3/BiOBr sample also indicates outstanding synergistic photocatalytic performance for the removal of the heavy metal ion/dye mixture (AO7/Cr(VI) and RhB/Cr(VI)). It is found that the decoration of In2O3 nanoparticles can accelerate the transfer and separation of photoinduced electrons and holes in BiOBr nanoplates. The energy band structure, work function, and Fermi level of BiOBr and In2O3 were computed through the density functional theory calculation. Based on the above investigation, the photocatalytic mechanism of the S-scheme In2O3/BiOBr composite was discussed.
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CERAMICS INTERNATIONAL
·
2022
·
IF 5.532
Mengmeng Yang,Zhaofeng Chen,Lixia Yang,Yang Ding,Xiaoyang Chen,Manna Li,Qiong Wu,Tianlong Liu
Environmental noise has been regarded as major noise pollution with severe hazards to human physical and mental health. The common commercial fiber sound-absorption materials have insufficient low frequencies wave absorbing and fire-resistant ability, limiting their wide application. To solve these problems, a novel strategy combining flexible nanofibers and rGO/MXene nanosheets was proposed to fabricate rGO/MXene/SiO 2 nanofibers composite aerogel with hierarchically porous structure, which possessed an extremely low density of 9.8 mg/cm 3 and superior low-frequency sound absorption ability (NRC value of 0.51). The obtained composite aerogel possessed a large deformation up to 80% (corresponding compressive stress of 17 kPa) and quickly recovered. In addition, the as-prepared aerogel could be easily produced on a large scale, providing a reference for the development of new generation of sound-absorbing products.
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CHEMICAL ENGINEERING JOURNAL
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2022
·
IF 16.744
Wanshun Deng,Gang Wang,Zhixiang Zeng,Tianhui Ren
To achieve smart control of liquid penetration, liquid diodes have been widely studied in the recent years. However, most liquid diodes can only achieve opposite wettability in one or two systems, resulting in the loss of unidirectional liquid transportation property after they are wetted by immiscible liquids. This shortcoming will highly restrain the application areas of liquid diodes. Herein, a two-step single-side etching strategy have been adopted to develop opposite wettability on reverse sides of single-layered meshes. Opposite wettability forms not only in air but also under various liquids such as water and oil to realize unidirectional liquid penetration in these systems. More importantly, varied thickness of lyophobic layer was found to be crucial in liquid transportation in different systems, which was further demonstrated by the analysis of Laplace pressure on various meshes. Besides, the obtained liquid diodes were also competent in fog collection, liquid capture and oil/water separation, exhibiting great versatility. Thus, our findings not only propose on-demand and versatile liquid diodes but can also enlighten further study in smart valves in different systems.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2022
·
IF 9.136
Bihan Sun,Houfen Li,Qian Wei,Shuai Xue,Aijuan Zhou,Xiuping Yue
Quinoline is a kind of organic pollutant difficult to be biodegraded, for which the photocatalysis technology is a commonly used removal method, but the degradation performance still needs to be improved. In this work, the WO 3 -CuFe 2 O 4 Z-scheme system was constructed, and the persulfate (PS)-assisted photocatalytic degradation of quinoline with WO 3 -CuFe 2 O 4 by adding persulfate in the photocatalytic systems was studied. The effects of different systems and key parameters such as catalyst dosage, PS concentration and initial pH value on the degradation efficiency of quinoline were investigated. With the addition of persulfate, the degradation efficiency of quinoline increased from 24.3% to 100% in 150 min, under the condition of [PS] = 3 mmol/L, [catalyst] = 3 g/L, temperature = 25 ± 2 °C, and pH = 9. And the WO 3 -CuFe 2 O 4 catalyst showed excellent reusability according to the result of 5-cycle repeated experiment. The possible degradation mechanism was studied by the quenching test and the identification of intermediates and products, which indicated the degradation of quinoline in WO 3 -CuFe 2 O 4 /VIS/PS system was realized via denitrification, dehydrogenation, hydroxylation and ring breaking processes.
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Nanomaterials
·
2022
·Vol. 12
·期 17
·3019
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IF 5.719
Jiaqi Chen,Jian Gao,Xiaoyang Liu,Pan Wang,Xue Yu,Feng Zhao,Yan Sun,Wei Feng,Qingyuan Wang
Degradation of organic pollutants, especially organic dyes and antibiotics, by semiconductor photocatalysts is an efficient strategy for wastewater treatment. TiO2nanomaterials are considered to be promising photocatalysts due to their high chemical stability, high efficiency and availability. Anatase TiO2generally has superior photocatalytic activity to the rutile phase. However, the anatase phase can be irreversibly transformed to rutile phase when calcined at an elevated temperature. Methods to improve the stability of anatase are especially important for the TiO2gas sensors working at high temperatures. The addition of strong acids can effectively suppress this transformation process. However, these strong acids are relatively expensive, corrosive and environmentally unfriendly. Herein, oxalic acid (OA) as a natural acid was used to control the hydrolysis process of tetrabutyl titanate (TBOT), leading to controllable crystalline phase transformation and reduced crystalline size of TiO2on the nanoscale. What is more, the photocatalytic degradation performances were enhanced continuously when the molar ratio of OA to TBOT increased. The degradation reaction rate constants of CT650-R25 were about 10 times that of CT650-R0. The mechanism study shows that the enhanced photocatalytic activity can be attributed to the improved dispersibility, increased specific surface area and reduced recombination rates of photo-induced charge carriers and decreased energy bands as the concentration of OA increased. Thus, this work provides a simple, mild and effective method for controlling the crystalline forms of nano-TiO2with enhanced photocatalytic performance towards waste water treatment.Keywords:TiO2;photocatalyst;inhibitor;phase transformation
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ANALYTICAL CHEMISTRY
·
2022
·
IF 8.008
Ke Min,Yong Li,Yue Lin,Xuezhi Yang,Zigu Chen,Bo Chen,Ming Ma,Qian Liu,Guibin Jiang
Soot, mainly derived from incomplete combustion of fossil fuel and biomass, exists ubiquitously in different environmental matrixes. To study the detrimental effects of soot on climate, air quality, and human health, accurate quantification of soot is an important prerequisite. However, until now, quantification of soot in environmental media, especially in carbonaceous media, is still very challenging. Here, we report a matrix-free laser desorption/ionization mass spectrometry (LDI-MS) method for in situ imaging of soot particles in size-segregated aerosol samples collected on filter membranes. A series of round-shaped sample spots in filter membranes were selected and subjected to MS imaging analysis, enabling direct in situ quantification of soot without solvent extraction or separation. Especially, the MS imaging with serial sample spots can overcome the problems of sweet-spot in LDI-MS and inhomogeneous distribution of soot in the filter membrane, thus greatly improving the precision of quantification. The limit of detection of soot was 4 ng/m2 and the recovery was 84.4–126%. By using this method, we found that a higher soot content was present in larger-sized particulate matter than smaller-sized particles, suggesting that aerosol soot was mainly derived from primary emission sources. Furthermore, this method also shows the potential to analyze nitrate and sulfate species in PM2.5. To the best of our knowledge, it is the first method capable of simultaneous analysis of inorganic salts and soot in air samples. It represents a novel strategy for in situ quantification of aerosol soot with the advantages of high specificity, high sensitivity, separation-, solvent- and matrix-free.
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Journal of Saudi Chemical Society
·
2022
·
IF 4.712
Tao Chen,Ning Sun,Yuan Zhao,Jie Gao,Guowen Hu,Xiaobing Han,Yayang Tian,Linfeng Chen,Guobao Huang,Bing Li
A new aminophosphonic acid chelating resin was successfully prepared via electron beam irradiation grafting combined with chemical modification and used for the efficient removal of La(III). Firstly, glycidyl methacrylate (GMA) was grafted to polystyrene microspheres (PS) via electron beam co-radiation to obtain PS-PGMA microspheres, then followed by the amination with diethylenetriamine (DETA) to formed PS-PGMA-DETA (PGD) microspheres through nucleophilic substitution between amino and epoxy group, and finally PS-PGMA-DETA-PA (PGDP) microspheres was obtained by phosphorylation with phosphorous acid (PA). The obtained chelating resin absorbent was characterized by Fourier-transform infrared (FT-IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), which demonstrated that the millimetric aminophosphonic acid chelating resin were successfully prepared with well-defined morphology and enhanced thermal stability. The X-ray photoelectron spectroscopy (XPS) characterization results confirmed a possible adsorption mechanism, which is mainly based on the chelation and coordination of N and O in PDGP with La(III) in the solution. A series of parameters were taken into account in the adsorption experiment, such as absorbed dose, GMA concentration, dosage of PGDP, pH, contact time, temperature, and the initial concentrations of La(III). The maximum adsorption capacity obtained from the research can be achieved 288.69 mg/g at 298.15 K, pH = 6. The kinetic sorption for for La(III) fitted the type 1 pseudo-second-order (R 2 = 0.9981), which revealed that the La(III) are chemisorbed on the surface of the PGDP. It was concluded that the La(III) adsorption conformed to the Freundlich equation, indicating a multilayer adsorption process. Thermodynamic data indicated that the La(III) uptake process was a spontaneous and endothermic. In addition, this research provided a new irradiation grafting method for rare earth ions removal.
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FUEL
·
2022
·
IF 8.035
Yueqing Wang,Hongxing Wang,Junbo Zhang,Hongyan Zheng,Long Huang,Yulei Zhu
Selectively converting fructose into furfural by H-beta catalyst is a very interesting catalytic process. However, it is a challenging task to clearly elucidate the roles of framework Al for selective scission of C C and C O bond. Herein, selective elimination of framework Al atoms is realized. Several detailed investigations showed that the framework Al species located in different sites play important role in furfural formation. The framework Al atoms of pristine H-beta mainly occupied at T1, T2, T5, T6 and T7 sites. These Al species at pore mouth can be removed by citric acid, while the treatment of nitric acid mainly eliminated the framework Al atoms from T2 and T7 sites. As for oxalic acid, the Al atoms occupied at T2, T5, T6 and T7 was primarily leached. Upon citric acid and nitric acid treatment afforded the similar yield of furfural, indicating that the formation of furfural could not be governed by these Al species at pore mouth, T2 and T7 sites. However, in the case of oxalic acid treatment, complete removal of the Al species on T2, T5, T6 and T7 sites decreased the yield of furfural. Thus, it is reasonably inferred that these Al atoms populated at T1 sites and intersecting channels is more encouraging for the splitting of C C bond, while the Al species occupied at T5, T6 sites and the larger straight channels is probably more favorable to scission of C O bond.
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