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JOURNAL OF POROUS MATERIALS · 2022 ·Vol. 29 ·期 5 ·1639-1648 · IF 2.523

Integrated gas expansion and activation strategy to prepare shaddock peel-derived nitrogen doped honeycomb carbon for high performance supercapacitor

Long Shi-Jia,Si Chang-Dai

Shaddock peel-derived nitrogen doped honeycomb carbon (NHPC) has been prepared by a facile integrated gas expansion, activation and nitrogen doping strategy using urea and potassium carbonate (K 2 CO 3 ) as the mixed activating agents. The thermal decomposition of urea to generate ammonia plays a dual role of a nitrogen source and gas expanding agent, while the K 2 CO 3 plays a pore-creating medium. The NHPC exhibits honeycomb-like microstructure feature and possesses a large specific surface area (1438.5 m 2  g −1 ), high nitrogen doping (6.23 wt%) and well-developed mesopores. Consequently, the NHPC used as electrode for supercapacitor exhibits high specific capacitance of 225 F g −1 at 0.25 A g −1 and good rate capability. In addition, the symmetric supercapacitor fabricated with NHPC material in 1 M K 2 SO 4 aqueous electrolyte delivers high energy density of 18 W h kg −1 operated in the wide voltage of 2.0 V and superior cyclability of 97.8% capacity retention after 30,000 cycles.

CAS / MDL: 57-13-6 584-08-7
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2022 · IF 4.326

Efficient Recovery of Dichloromethane from Tail Gas by 1-Alkyl-2-ethylimidazole Ethyl Sulfate and 1-Ethylpyridine Ethyl Sulfate

Qiangbing Shi,Kaixuan Wang,Mengjun Wang,Tao Li,Baozeng Ren,Yinge Bai,Xiangping Zhang

Four sulfate-based ILs, 1-butyl-3-ethylimidazolium ethyl sulfate [Beim][EtSO4], 1-ethyl-3-ethylimidazolium ethyl sulfate [Eeim][EtSO4], 1-ethyl-3-methylimidazolium ethyl sulfate [Emim][EtSO4], and 1-ethylpyridinium ethyl sulfate [Epy][EtSO4], were synthesized and used as an absorbent for dichloromethane (DCM). Among them, the maximum DCM absorption capacity of 0.426 g DCM g–1 IL was achieved in [Beim][EtSO4] at 313.15 K and 37.7% DCM concentration, which was 42.2% higher than that of common organic solvent bis(2-ethylhexyl) adipate under the same conditions. The density and viscosity of [Beim][EtSO4] containing different mass fractions of DCM were measured. The density of [Beim][EtSO4] increases with the mass fraction of adsorbed DCM, while the viscosity decreases sharply. The efficient performance of ILs to absorb DCM is mainly due to the hydrogen bonding interaction between the anion and DCM, which was confirmed by spectroscopic measurement and quantum chemical calculations. This work demonstrates the great potential of ILs in separating and recovering DCM from exhaust gas.

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JOURNAL OF MEMBRANE SCIENCE · 2022 · IF 10.53

A defects-free ZIF-90/6FDA-Durene membrane based on the hydrogen bonding/covalent bonding interaction for gas separation

Guozhen Li,Zhihao Si,Shuai Yang,Yan Zhuang,Siyu Pang,Yuhui Cui,Jan Baeyens,Peiyong Qin

Mixed-matrix membranes (MMMs), consisting of nanoparticles and a polymeric matrix, have been proven high-efficiency separation media for gas separations. The interface engineering between the particles and polymeric matrixes is the key-point for MMMs to display an excellent separation performance. Herein, an amine modified ZIF-90 (ZIF-90-NH 2 ) is dispersed in 6FDA-Durene to prepare MMMs, the modified amino groups can form the hydrogen bonding with 6FDA-Durene to enhance the compatibility of ZIF-90-NH 2 and 6FDA-Durene. A 45 wt% ZIF-90-NH 2 /6FDA-Durene MMM demonstrated a high separation performance, surpassing the 2008 Robeson permeability-selectivity upper bounds. This satisfactory gas separation performance can be due to the intimate interactions between the 6FDA-Durene polymer and ZIF-90-NH 2 nanoparticles via abundant hydrogen bonding. Furthermore, the covalent linkage of ZIF-90-NH 2 with 6FDA-Durene can be driven by the tris(2-aminoethyl) amine (TAEA) vapor thermal modification method to realize the ring opening reaction, which further enhances the particles-polymer connection in the ZIF-90-NH 2 /6FDA-Durene-TAEA MMMs. Results show that the 45 wt% ZIF-90-NH 2 /6FDA-Durene-TAEA MMM exhibits a remarkably enhanced H 2 permeability of 487.0 Barrer with a H 2 /CO 2 selectivity of 35.8, which is 6.8 times higher than that of ZIF-90/6FDA-Durene-TAEA MMM. This strategy offers new prospects for membrane materials and opens a new way for the precise interface engineering of MMMs, and the resulting high performance for energy-efficient gas separations.

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SENSORS AND ACTUATORS B-CHEMICAL · 2022 · IF 9.221

Novel strategy and highly sensitive cataluminescence gas sensor for methallyl alcohol detection based on La2O3/α-Al2O3 composite materials

Qianchun Zhang,Yuxian Zhao,Xuan Shang,Shan Tang,Li Jiang,Yun Wu,Qin Zhou,Shiqin Li

Methallyl alcohol (MA), which is a common volatile organic compound, in vapor form can cause respiratory irritation, headache, nausea, and vomiting. Therefore, the development of a highly selective, excellently sensitive, and efficient sensor for rapidly identifying trace MA is essential. In this study, a La 2 O 3 /α-Al 2 O 3 composite with excellent cataluminescence (CTL) activity in the presence of MA was successfully synthesized. The CTL sensor based on as-prepared La 2 O 3 /α-Al 2 O 3 exhibited high selectivity for MA vapor as well as response and recovery times of 1 and 6 s, respectively. Under the optimal conditions for MA detection, the La 2 O 3 /α-Al 2 O 3 sensor exhibited a linear range of 0.0025–0.50 mg/L (correlation coefficient, R 2 = 0.998) and a low limit of detection of 0.61 μg/L at a signal-to-noise ( S/N ) = 3. The La 2 O 3 /α-Al 2 O 3 sensor was also used to determine the MA content in spiked samples and volatile gases generated from a medicine cabinet. Excellent recoveries in the range of 82.5–107% were obtained, with a corresponding relative standard deviation ( n  = 5) in the range of 2.1–4.7%. Furthermore, the CTL sensing mechanism was investigated through density functional theory and high-performance liquid chromatography-ultraviolet analyses.

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS · 2022 ·Vol. 24 ·期 23 ·14545-14551 · IF 3.945

In situ monitoring of the plasmon catalytic reaction of p-nitroaniline at a gas–liquid–solid three phase interface

Ziqian Shi,Jingwen Liu,Hongyan Xi,Pengfei Wu,Niu Pan,Tingting You,Yukun Gao,Penggang Yin

Localized surface plasmon resonance (LSPR) is caused by the irradiation of light on a metal surface. Here we present a surface plasmon catalytic reaction at the gas–liquid–solid three phase interface. Electrochemical deposition was used to prepare Ag nanostructure/Cu mesh surface-enhanced Raman scattering (SERS) substrates. Surface wettability was adjusted by changing the processing time of the surfactant. Then a three-phase interface platform was constructed with good SERS performance and active surface plasmon catalytic capacity by droplet detection. At the gas–liquid–solid three phase interface, different oxygen supplies for the catalytic reaction were offered on surfaces with different wettability values. Thus, in this study, surface plasmon catalytic reaction of p-nitroaniline (PNA) was successfully in situ monitored and the reaction mechanism was explored. Otherwise, density functional theory (DFT) was used to calculate the Raman spectra and energy levels of the reactants and reaction products. Moreover, this work provides a new platform for monitoring the surface plasmon reaction at the gas–liquid–solid three-phase interface and contributes to the development of the study in the surface plasmon catalytic reaction field.

CAS / MDL: 100-01-6
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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Desulfurization mechanism of an excellent Cu/ZnO sorbent for ultra-deep removal of thiophene in simulated coke oven gas

Fanjing Wei,Xiaoxia Zhang,Junjie Liao,Jiawei Guo,Weiren Bao,Liping Chang

The reactive adsorption desulfurization mechanism of thiophene over Cu/ZnO sorbent in coke oven gas (COG) was established by a combination of theoretical and experimental study. The adsorption behavior of thiophene on Cu surface was studied by density functional theory (DFT) method. The C 4 hydrocarbons releases and sulfur migration over Cu/ZnO sorbent during the thiophene removal process were investigated by comparing with that over CuO, ZnO and CuO+ZnO (prepared by mechanical grinding of CuO and ZnO) sorbents. The results show that the parallel adsorption of thiophene on hexagonal closest packing (HCP) site of Cu (1   1   1) crystal face is the optimal adsorption mode. Cu 0 nanoparticles in Cu/ZnO sorbent have two important roles: (1) adsorb and dissociate H 2 , and (2) cleave the C–S bond of thiophene. The sulfur after the cleavage of C–S bond could transfer directly to ZnO and eventually be converted into ZnS without the intermediate product CuS. During thiophene removal, C 4 H 6 and C 4 H 10 are generated over Cu/ZnO sorbent in the presence of H 2 . ZnO in Cu/ZnO sorbent not only acts as an excellent sulfur accepter, but can greatly affect the adsorption properties by enhancing the spillover and storage of hydrogen atoms . Increasing the interaction between Cu 0 nanoparticles and ZnO to enhance hydrogen spillover is an effective way to improve the thiophene reactive adsorption activity of Cu/ZnO.

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ADVANCED POWDER TECHNOLOGY · 2022 · IF 4.969

Phase, microstructure evolution, and periodic density functional theory study of reduction and nitridation of V2O3 with clean ammonia gas

Yongjie Liu,Fupeng He,Qingqing Hu,Qingyun Huang,Xuyang Liu,Zhixiong You,Guibao Qiu,Xuewei Lv

Vanadium nitride (VN) has a wide range of application because of its excellent properties, which include high hardness, outstanding wear resistance, and good electrical conductivity. This study investigated the mechanism for the reduction and nitridation of V 2 O 3 with clean ammonia gas, using both experimental and density functional theory (DFT) studies. The experimental results indicated that V 2 O 3 could easily be converted to VN in an ammonia atmosphere at 500–800 °C. The reaction pathway to form VN was V 2 O 3  → VN x O 1– x  → VN. Increasing the reaction temperature was conducive to an increase in the N content of VN x O 1– x . A DFT study systematically revealed the adsorption of NH x and H on the V 2 O 3 (0001) surface. The results showed that with the dissociation of NH 3 , its adsorption energy on the surface of vanadium oxide became higher. The whole reaction process could be divided into NH 3 decomposition on the surface and the formation of H 2 O(g). Both of these were endothermic reactions, and the reaction step of generating H 2 O(g) needed a higher temperature. The bonding of V 3c –N facilitated the desorption of O 3c atoms to form H 2 O(g), which explained why VN can be prepared by the reaction of NH 3 and V 2 O 3 .

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CHEMISTRY OF MATERIALS · 2022 · IF 10.508

Engineering Pore Walls of Mesoporous Tungsten Oxides via Ce Doping for the Development of High-Performance Smart Gas Sensors

Yan Liu,Ruoxuan Guo,Kaiping Yuan,Min Gu,Mengli Lei,Chenyi Yuan,Meiqi Gao,Yuejie Ai,Yaozu Liao,Xuanyu Yang,Yuan Ren,Yidong Zou,Yonghui Deng

Chemiresistive gas sensors are widely used in environmental monitoring and industry production; however, their selectivity and sensitivity are yet to be improved and their working temperature is usually too high (around 250 °C), which limit their applications in detecting trace gases at low temperatures due to the low activity of sensitive layers. Herein, novel Ce-doped mesoporous WO3 with high specific surface areas of 59–72 m2/g, a stable crystalline framework, and finely tailored pore walls was synthesized via a facile in situ cooperative assembly method combined with a carbon-supported crystallization strategy. The doping of Ce atoms in the mesoporous WO3 pore wall can effectively adjust the coordination environment of W atoms, giving rise to dramatically enhanced oxygen vacancy (Ov) and forming Wδ+-Ov sites. As a result, the obtained Ce-doped mesoporous WO3 showed excellent H2S sensing performance at a low working temperature (150 °C) with an ultrahigh response value (381 vs 50 ppm), fast response dynamics (6 s), outstanding selectivity, and antihumidity property as well as good long-term stability. The superior gas sensing performance is attributed to the increased Ov density and enhanced conversion of surface-adsorbed H2S into SOx and SOx2– during the surface adsorption-catalysis reaction in the sensitive layer. Density functional theory (DFT) calculations reveal that Ce4+ is embedded into the crystal lattice of WO3 to form an optimal structure rather than atom substitution, and Ce-doped WO3 shows a higher H2S adsorption energy and a larger charge transfer than that in pure WO3, accounting for the better H2S sensing response of Ce4+-doped WO3. Furthermore, a novel gas sensing module and smart portable sensor device based on Ce-doped mesoporous WO3 was developed for efficient real-time monitoring of H2S concentration on a smartphone via Bluetooth communication.

CAS / MDL: 7790-86-5 13283-01-7
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2023 · IF 6

Co-pyrolysis of cellulose and polyethylene terephthalate by TG-MS: Pyrolysis behavior, conventional gas and solid phase product characteristics

Mengqi Zhong,Jinping Li,Lun Zhou,Teng Wang,Jingxin Liu,Meng Mei,Si Chen

This research investigates the mechanism of co-pyrolysis in waste-blended textiles (polyester/cotton blends). Thermogravimetry and mass spectrometry analysis were utilized to study the mass loss behavior and gas emission characteristics of cellulose (CE) and polyethylene terephthalate (PET) with various mass ratios during pyrolysis. The EA, BET and FTIR analysis were used to investigate the interaction among the solid phase products. The findings revealed a clear synergistic effect between CE and PET. When the theoretical and actual thermogravimetry/gas release curves were compared, the synergistic effect in the co-pyrolysis process inhibited a release of small volatile substances (H 2 , CH 4 , C 2 H 2 , CO and CO 2 ) at high temperatures and directly promoted hydrocarbon enrichment in solid products, which could affect the adsorption performance of solid phase products, and the inhibition effect was strongest when the ratio was 35:65.

CAS / MDL: 25038-59-9
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2023 · IF 4.2

Hydrophobic Membrane for Water Recovery from Humid Gas by Membrane Condenser: Effects of Membrane Properties on Recovered Water Quality

Yu Huang,Hongjun Hu,Lixun Zhang,Guoqing Yi,Songhong Yu,Zhaohui Wang,Zhaoliang Cui,Shuaifei Zhao

Two hydrophobic porous ethylene-chlorotrifluoroethylene (ECTFE) membranes quenched in water and air were fabricated by thermally induced phase separation and used for water recovery from ammonia-containing humid gas via vapor condensation. The ECTFE membranes were further hydrophobically modified to enhance their condensation performance. The condensate water quality of the modified membrane significantly improved. The mechanisms of the NH3 contamination in the condensate water were discussed. Surface hydrophobic modification slightly increased the flux and recovery stabilities of the membranes. However, the modification also increased the membrane surface roughness, which adversely affects the vapor condensation and droplet evolution on the membrane surface and reduced the recovered water quality. From the material perspective, desirable porous membranes for vapor condensation should have high surface hydrophobicity and smoothness and reasonably large pore sizes. The reasonably large pore sizes would promote noncondensable gaseous contaminants (e.g., ammonia) to go through the membrane, thereby improving the recovered water quality.

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Foods · 2021 ·Vol. 10 ·期 11 ·2888 · IF 4.35

Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu)

Shuang Chen,Jialing Lu,Michael Qian,Hongkui He,Anjun Li,Jun Zhang,Xiaomei Shen,Jiangjing Gao,Yan Xu

This paper proposes the combination of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) and chemometrics as a method to detect the age of Chinese liquor (Baijiu). Headspace conditions were optimized through single-factor optimization experiments. The optimal sample preparation involved diluting Baijiu with saturated brine to 15% alcohol by volume. The sample was equilibrated at 70 °C for 30 min, and then analyzed with 200 μL of headspace gas. A total of 39 Baijiu samples from different vintages (1998–2019) were collected directly from pottery jars and analyzed using HS-GC-IMS. Partial least squares regression (PLSR) analysis was used to establish two discriminant models based on the 212 signal peaks and the 93 identified compounds. Although both models were valid, the model based on the 93 identified compounds discriminated the ages of the samples more accurately according to the goodness of fit value (R2) and the root mean square error of prediction (RMSEP), which were 0.9986 and 0.244, respectively. Nineteen compounds with variable importance for prediction (VIP) scores > 1, including 11 esters, 4 alcohols, and 4 aldehydes, played vital roles in the model established by the 93 identified compounds. Overall, we determined that HS-GC-IMS combined with PLSR could serve as a rapid and accurate method for detecting the age of Baijiu.Keywords:Chinese liquor (Baijiu);ageing discrimination;HS-GC-IMS;extraction condition optimization

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JOURNAL OF CHROMATOGRAPHY A · 2021 · IF 4.759

Simultaneous quantification of eleven short-chain fatty acids by derivatization and solid phase microextraction - Gas chromatography tandem mass spectrometry

Zhibo Fu,Qiangqiang Jia,Hongyang Zhang,Lu Kang,Xuezhi Sun,Min Zhang,Yuerong Wang,Ping Hu

As metabolites of the gut microbiome, short-chain fatty acids (SCFAs) played an important role in the diagnosis of the metabolic diseases. Because of the high polarity, high volatility and complex matrix of biological samples, the highly sensitive, selective and accurate method to determine SCFAs remains a major challenge. Herein, a new method for simultaneous quantification of eleven SCFAs by derivatization combined with solid phase microextraction (SPME) and gas chromatography tandem mass spectrometry (GC–MS/MS) was developed. Isobutyl chloroformate coupled with isobutanol was used as the reaction reagent to derivatize SCFAs. The method validation data showed a satisfactory linearity with the linear regression coefficients (R) ranging from 0.9964 to 0.9996. The limit of detection (LOD) of all SCFAs ranges from 0.01 ng·mL −1 to 0.72 ng·mL −1 and the limit of quantification (LOQ) ranges from 0.04 ng·mL −1 to 2.41 ng·mL −1 . The intra-day and inter-day precision (RSDs) ranged from 0.65% to 8.92% and 1.62% to 15.61%, respectively. The recovery ranged from 88.10% to 108.71%. Finally, the developed method was successfully used to determine SCFAs in mice fecal sample, and ten of the SCFAs were found in feces of mice, including formic acid.

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