Defence Technology
·
2025
·
IF 5.9
Zhe Zhang,Zhuowei Sun,Haoming Zou,Xijuan Lv,Ziyang Guo,Shuai Zhao,Qinghai Shu
3-Nitro-1,2,4-triazol-5-one (NTO) is a typical high-energy, low-sensitivity explosive, and accurate concentration monitoring is critical for crystallization process control. In this study, a high-precision quantitative analytical model for NTO concentration in ethanol solutions was developed by integrating real-time ATR-FTIR spectroscopy with chemometric and machine learning techniques. Dynamic spectral data were obtained by designing multi-concentration gradient heating-cooling cycle experiments, abnormal samples were eliminated using the isolation forest algorithm, and the effects of various preprocessing methods on model performance were systematically evaluated. The results show that partial least squares regression (PLSR) exhibits superior generalization ability compared to other models. Vibrational bands corresponding to C=O and –NO 2 were identified as key predictors for concentration estimation. This work provides an efficient and reliable solution for real-time concentration monitoring during NTO crystallization and holds significant potential for process analytical applications in energetic material manufacturing.
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ACS Sustainable Chemistry & Engineering
·
2026
·
IF 7.3
Ziyao Li,Nan Wang,Bo Li,Xuzhuo Sun,Jing Chen
The electrocatalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) holds significant research value and broad application potential. The catalyst, comprising cobalt nanoparticles (Co NPs) encapsulated within nitrogen-doped carbon nanotubes (NCNTs) grown in situ on carbon paper (Co@NCNT/CP), was successfully developed. The catalyst achieved paired electrocatalytic reactions for HMF oxidation coupled with 4-nitrophenol (4-NP) reduction. Both HMF and 4-NP exhibited conversion rates exceeding 99%. The FDCA yield and selectivity reached 97%, with a Faradaic efficiency of 99%. The 4-aminophenol (4-AP) yield and Faradaic efficiency were 98%. Mechanistic studies revealed that electrochemically generated Co3+ species serve as the primary active sites for HMF oxidation. Electron interactions between the NCNTs and encapsulated Co NPs further stabilize the cobalt valence state. The structure facilitates HMF adsorption on Co NP surfaces, primarily via the Eley–Rideal mechanism, promoting catalytic conversion under high HMF concentrations. The paired electrochemical system exhibited outstanding catalytic performance and faster reaction rates for synergistic HMF oxidation and 4-NP hydrogenation than for individual reactions.
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Energy Sources Part A-Recovery Utilization and Environmental Effects
·
2021
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IF 3.447
Guolong Chen,Chao Zhang,Ke Jia,Yongjie Wang,Lijun Zhu
The preparation conditions of zeolite are the key factors affecting the adsorption performance of organic sulfur from natural gas. The influence of crystallization time, pH and Si/Al ratio of ZSM-5 zeolite preparation on the crystallinity, which is further related to the dimethyl sulfide adsorption performance in gas was explored for the first time. After conditional screening, the suitable conditions for organic sulfur adsorption are crystallization time of 36 h, Si/Al of 50, and pH as 13, and the breakthrough capacity of ZSM-5 is 8.23 mg/g. The Si/Al ratio has the greatest impact on the adsorption performance. With Si/Al ratio reduced from 200 to 50, the breakthrough time increased by 146%. The breakthrough time of ZSM-5 in methane is reduced by 12.5% compared with nitrogen. After the 5 cycles, the breakthrough time of the ZSM-5 decreases by less than 5%, indicating that the ZSM-5 can be reused for a long time in the natural gas purification industrial application process. This research provides research directions and guidance for the optimization of zeolite preparation conditions and the development of new organic sulfur adsorbents.
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ANALYTICA CHIMICA ACTA
·
2026
·
IF 6.1
Xiaolong Shen,Ruizhi Tang,Shujuan Ma,Yangyang Bian,Zichao Tang,Junjie Ou
Background As a class of star macrocyclic molecules, cucurbit [n]urils (CB[n]) have gained extensive applications across multiple fields, including perovskite batteries, adsorption separation, room-temperature phosphorescence and biomolecular science and so on. The acquisition of high-purity CB[n] presents a significant challenge, especially for researchers without a dedicated background in organic synthesis and purification. The separation of individual CB[n] homologues is notoriously difficult, especially in the case of CB[7] and CB[5] due to their similar solubility and chemical properties. Therefore, development of specific and selective chromatographic methods is necessary for efficient separation of CB[n] homologues. Results In this work, three types of bipyridine-containing hybrid monolithic materials were designed and fabricated through “one-pot” approach, and then employed as an adsorption platform for the separation of CB[5] and CB[7] via supramolecular affinity chromatography strategy. This novel method offers efficient separation based on the differential molecular recognition mechanism of CB[5] and CB[7] toward the guest bipyridine moiety. Compared with the guests within the polymer chains, exposing the guests at the terminal ends of the adsorbent surface would benefit the specific adsorption capability of CB[7]. After optimizing the chromatographic conditions, the separation of CB[5] and CB[7] was successfully achieved on hybrid monolithic materials modified with 4,4′-bipyridine (Monolith-Ⅱ-Bp), enabling the isolation of 12 mg CB[5] and 10 mg CB[7] with high-purity from 40 mg of the crude product, corresponding to yields of 30.0% and 25.0%, respectively. Significance This work is the first to introduce hybrid monolithic materials and a separation strategy based on specific and reversible host-guest interactions, enabling simplified purification of CB[5] and CB[7] and accurate determination of their purity by MALDI-TOF MS. This approach is expected to serve as a reliable laboratory-scale method for the preparation of high-purity CB[n] homologues.
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Processes
·
2022
·Vol. 10
·期 12
·2480
·
IF 3.352
Linli Xu,Jianhui Fu,Cunbin Du,Qianqian Xu,Baojian Liu,Zongbi Bao
The solubility of 2,5-furandicarboxylic acid (FDCA) and its synthetic intermediates (e.g., 5-formylfuran-2-carboxylic acid, FFCA) provides fundamental information for the preparation and purification of the value-added biocompound FDCA. We measured the solubility of FDCA and FFCA in binary water + 1,4-dioxane mixtures with different mixing ratios at 303.15 K–342.15 K. The obtained solubility values were correlated with the Jouyban-Acree-van’t Hoff model, and the preferential solvation theory was used to study the microscopic dissolution mechanism. The solubility of FDCA/FFCA increases with increasing temperature, and pure 1,4-dioxane dissolves more solutes than pure water. FFCA shows higher solubility than FDCA. In the binary solvent mixtures, the phenomenon of co-solvency exists for both FDCA and FFCA, i.e., at a 1,4-dioxane mole fraction of about 0.60, FDCA and FFCA dissolve the most. Acceptable mean percentage deviations (MPD) (5.5% and 6.9%) are obtained for FDCA and FFCA (Jouyban-Acree-van’t Hoff model). The calculated preferential solvation parameters show different dissolution mechanisms at different solvent compositions. When the 1,4-dioxane mole fraction is 0.17~0.62/0.63, FDCA/FFCA are preferentially solvated by 1,4-dioxane. Otherwise, they are preferentially solvated by water. A trend similar to the “co-solvency phenomenon” is observed in the differences in solubility of FFCA and FDCA. This study gives important guidance for the use of binary water and 1,4-dioxane solvents in practical FDCA purification.Keywords:solubility;binary solvent mixtures;water + 1,4-dioxane;2,5-furandicarboxylic acid;5-formylfuran-2-carboxylic acid;co-solvency phenomenon
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MICROPOROUS AND MESOPOROUS MATERIALS
·
2022
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IF 5.876
Chao Miao,Shumei Chen,Lixing Liang,Kaixuan Shang,Jing Ouyang
In this paper, we used kaolinite tailings as raw materials to design and prepare ZSM-5 zeolite with “flower ball” morphology. Through the functional design of the material, Cr–Ce/ZSM-5 catalysts were prepared for CO 2 -assisted ethane oxidative dehydrogenation reaction (CO 2 -ODH). The folds and grooves on the surface of the “flower ball” ZSM-5 carrier act as a good anchor site for the loading of the active components, thus better anchoring Cr and Ce metal oxides , and leading to a strong interaction between the active component and the carrier. The 5%Cr–10%Ce/ZSM-5 catalyst exhibited the best catalytic performance, the conversion rate of C 2 H 6 and the selectivity of C 2 H 4 can always maintain the initial 64% and 80% within 30 h stability test at 800 °C. The existence of abundant Cr 6+ species in catalyst strengthens the binding ability of the catalyst and active oxygen species and promotes the formation-gasification process of carbon deposits on surface of the catalyst.
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Journal of Cleaner Production
·
2022
·
IF 11.072
Yibing Xie,Mengyu Wang,Xueqian Wang,Langlang Wang,Ping Ning,Yixing Ma,Jichang Lu,Rui Cao,Yu Xue
The traditional way for arsine (AsH 3 ) removal from the reducing exhaust gas by catalytic oxidation undershot the expect goal in pollutant emission control. This laboratory scale work used magnetic field to improve the chemical environment of AsH 3 catalytic oxidation over magnetic response catalyst Fe/HZSM-5. After introducing external magnetic field at a magnetic field intensity of 0.1 T, the catalytic performance of Fe/HZSM-5 for AsH 3 removal was improved by 52%, and the turnover frequency (TOF) value increased from 4.65 × 10 −3 s −1 to 5.73 × 10 −3 s −1 . The structure–activity relationship of the catalyst in the presence of magnetic field was investigated. The characterization results showed that Fe is mainly anchored onto the surface of Fe/HZSM-5 catalyst through an oxygen bridge, while a small proportion of Fe exists in the form of iron oxides . The Fe species and surface labile oxygen (O − ) in the aluminum tetrahedra are the magnetic active sites of Fe/HZSM-5, magnetic field promotes the reaction by increasing the activity of them. It was discovered that paramagnetic O − increased by 50% in the presence of magnetic field compared with that in its absence. Therefore, a magnetic-field-assisted oxygen cycling process is proposed. In terms of the stability of catalyst, formation of more amorphous oxidized arsenic after reaction in the presence of magnetic field reduced the toxicity to the strong acid sites of the catalyst, and the holding time of excellent AsH 3 removal efficiency was prolonged from 23 h to 35 h. These results provide new insights into magnetic-field-assisted zeolite catalysis.
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MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
·
2022
·Vol. 73
·期 7
·1153-1162
·
IF 1.832
Cunhua Wei,Ge Xu,Jin Yu
A novel triazine derivative, 2, 4-diamino-6-dodecamido-1, 3, 5-triazine (DT), is synthesized by the dehydration condensation of melamine and lauric acid, and its inhibitive performances for the corrosion of Q235 carbon steel in 1 mol/L HCl solution is investigated by electrochemical polarization, electrochemical impedance spectroscopy, scanning electron microscopy, and atomic force microscope. The results reveal that its best inhibition efficiency reaches 96.98% at a concentration of 2.5 g/L. The calculation results of kinetic and thermodynamic parameters indicate that the adsorption of DT on carbon steel surface obeys Langmuir adsorption isotherm with both physical and chemical adsorption. It is demonstrated that long-chain amide (>8C) substituted 1, 3, 5-triazine derivative has the synergistic corrosion inhibition effect of the surface fixation on metal iron and the hydrophobic adsorption layer.
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JOURNAL OF DAIRY SCIENCE
·
2022
·
IF 4.225
Yuanjia Chen,Lin Luo,Peiyan Feng,Baojun Xu,Xiaoqun Wei
ABSTRACT A robust method using HPLC-UV was developed to improve the accuracy and repeatability of a quantitative method to detect 5 nucleotides (cytidine-monophosphate, uridine monophosphate, adenosine monophosphate, guanine monophosphate, and inosine monophosphate) in infant formulas. The results showed that efficient separation could not be achieved without strict conditions. The proposed method displayed a strong linear relationship (R 2 > 0.9999) of single nucleotide in infant formula milk powder in the range of 10 to 1,000 mg/kg, a steady recovery (80.0% ∼110.0%) with relative standard deviation from 0.5% to 3.5%, under strict conditions of hydrophilic C 18 column with di-isopropyl at 62.5 ± 2.5°C (± standard deviation), 0.65 ± 0.1 mg/mL tetrabutylammonium bisulfate, and mobile phase of pH of 2.75 ± 0.02. By applying this method on a series of milk products in the Chinese market, we found a few of them exceeded the legal limits of nucleotides.
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INDUSTRIAL CROPS AND PRODUCTS
·
2022
·
IF 6.449
Shaoqing Wang,Zhihe Li,Weiming Yi,Peng Fu,Xueyuan Bai
Catalytic pyrolysis of corn cob lignin were preformed using a tailored HZSM-5 @Al-SBA-15 hierarchical zeolite for the production of value-added aromatic hydrocarbon. Resulted showed that the highly ordered two-dimensional p6mm mesoporous shell could uniformly form on the surface of HZSM-5 core phase. The porosity and acidity of the HZSM-5 @Al-SBA-15 could be tailored by adjusting the TEOS/HZSM-5 mass ratio in the synthesis process. The aromatic hydrocarbon components regulated due to pre-cracking and enhanced diffusion via the mesoporous shell, as well as the retained shape-selectivity of the HZSM-5 core. Herein, the relative content of MAHs reached 45.02% with fewer poly-aromatic hydrocarbons (PAHs) of 25.91% when the TEOS/HZSM-5 mass ratio of 1.0. However, the length of the diffusion path had a certain impact on the anti-coking behavior. The catalytic stability of the hierarchical zeolites was also improved, with less coke formation than HZSM-5 alone. This work demonstrates that using a tailored hierarchical zeolite to regulate aromatic hydrocarbon components is feasible, and provide a reference for the practical application of agricultural crop wastes.
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Frontiers in Chemistry
·
2022
·
IF 5.545
Duan Ying,Wang Rui,Liu Qihang,Qin Xuya,Li Zuhuan
The conversion of 5-hydroxymethylfurfural (HMF) to 1-hydroxy-2,5-hexanedione (HHD) represented a typical route for high-value utilization of biomass. However, this reaction was often catalyzed by the noble metal catalyst. In this manuscript, W promoted Ni/Al2O3 was prepared as a noble-metal-free catalyst for this transformation. The catalysts were characterized by XRD, XPS, NH3-TPD, TEM, and EDS-mapping to study the influence of the introduction of W. There was an interaction between Ni and W, and strong acid sites were introduced by the addition of W. The W promoted Ni/Al2O3 showed good selectivity to HHD when used as a catalyst for the hydrogenation of HMF in water. The influences of the content of W, temperature, H2 pressure, reaction time, and acetic acid (AcOH) were studied. NiWOx/Al2O3-0.5 (mole ratio of W:Ni = 0.5) was found to be the most suitable catalyst. The high selectivity to HHD was ascribed to the acid sites introduced by W. This was proved by the fact that the selectivity to HHD was increased a lot when AcOH was added just using Ni/Al2O3 as catalysts. 59% yield of HHD was achieved on NiWOx/Al2O3-0.5 at 393 K, 4 MPa H2 reacting for 6 h, which was comparable to the noble metal catalyst, showing the potential application in the production of HHD from HMF.
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Journal of Materials Chemistry A
·
2022
·Vol. 10
·期 39
·21135-21141
·
IF 14.511
Lifang Gao,Xin Wen,Shipeng Liu,Dongyang Qu,Yingming Ma,Jianhui Feng,Zhiwei Zhong,Hongyu Guan,Li Niu
Electrocatalytic preparation of 2,5-furancarboxylic acid (FDCA) from biomass-derived 5-hydroxymethylfurfural (HMF) is a highly attractive strategy for the development of the bio-renewable polymer industry. However, developing highly efficient catalysts with sufficient oxidation current density and durability remains a challenge. Introducing heteroatoms into layered double hydroxides (LDHs) can modulate the electrocatalysis behavior effectively. Herein, vanadium and cobalt were co-doped into nickel (oxy)hydroxide to construct a NiVCo-LDHs catalyst. With the diatomic synergetic modulation, the as-designed NiVCo-LDHs can electrosynthesize FDCA from HMF at a low potential of 1.376 V vs. RHE and achieve a 93.2–99.7% yield and 86.5–97.8% faradaic efficiency of FDCA during ten consecutive cycles. Such performance is superior to those of most reported nickel-based LDHs for HMF oxidation. Further studies indicate that the introduction of V can provide high intrinsic catalytic activity, mainly due to the enhanced specific surface area, facile electron transfer and abundant active sites.
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