Molecular Catalysis
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2025
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IF 4.9
Rong Chen,Peng Wang,Lizhi Wu,Li Tan,Yu Tang
PtSn bimetallic catalysts applied in propane dehydrogenation (PDH) reaction suffer from deactivation at high temperatures (500–700 °C) due to metal segregation and Sn-rich cluster formation. This study demonstrates that supporting PtSn catalysts on Silicalite-1 zeolite (S-1) enhances Sn dispersion through interactions with silanol hydroxyl groups, enabling effective regeneration of Pt-rich PtSn clusters even after 15 reaction-regeneration cycles. Comprehensive characterizations reveal that silanol nests play a critical role in redispersing metal species during regeneration, minimizing aggregation, and maintaining catalytic activity. The enhanced metal-support interactions significantly improve catalyst regenerability and stability, addressing key challenges in industrial PDH processes. This work highlights the importance of Sn dispersion and metal-support interactions in designing durable and efficient PtSn catalysts, offering practical insights for sustainable propylene production.
研究领域:
化学工程
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催化科学
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DOI
高影响因子
Water
·
2024
·Vol. 16
·期 16
·2218
·
IF 3
Zhichao Chen,Yulin Min,Xin Zhao,Penghui Shi,Hongxiu Lu
Ceramsites are extensively employed as substrates for adsorbents in studies focused on phosphorus adsorption, leaving ceramsites crafted from diatomite less explored. Diatomite-based ceramsite, with its distinct porous architecture and surface silanol functionalities, is adept at supporting a variety of metal oxides, presenting a distinct advantage over other ceramsite variants. In light of this, the present study embarked on producing diatomite-based ceramsite using diatomite as the foundational material, subsequently enhancing it through the incorporation of Fe, thus yielding an Fe-modified diatomite-based ceramsite. Through adsorption testing, the modified ceramsite demonstrated a significantly improved adsorption capacity of 4.06 mg P/g, marking a substantial enhancement from the initial capacity of 0.9 mg P/g. The process of phosphorus adsorption exhibited a strong alignment with the Langmuir isotherm model and the pseudo-second-order kinetic model. In-depth analyses employing XRD, FTIR, zeta potential, and XPS techniques have revealed that the principal mechanisms driving the adsorption process are centered on interactions involving electrostatic forces, the formation of chemical precipitates, and the exchange of ligands. This investigation not only opens new avenues for the application of diatomite-based ceramsite but also lays down a theoretical foundation for its modification, thereby enriching the spectrum of its utility.
研究领域:
环境科学
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材料科学
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DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2019
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IF 3.372
Chuan Wang,Qingqing Yang,Jieyu Wang,Jun Zhao,Xiaoyue Wan,Zhen Guo,Yanhui Yang
In recent years, machine learning (ML) has been extensively attempted on all sections in development of functional materials such as material discovery, determination of experimental factors for the discovered materials, and tuning experimental factors to produce the selected materials. Design of experiment (DoE) and response surface methodology (RSM) are efficient strategies to screen experimental factors and study the correlation between material property and experimental factors. Usually, second order quadratic model is applied to construct the response surface. ML-based models, such as Gaussian process and neural networks, have also be implemented into the RSM. In this work, a ML model based on support vector machine (SVM) was built to analyze the high-throughput experimental data from DoE. Silica xerogel was chosen as a model material, the goal was to control the diversity of the silanol groups on the surfaces of silica. Silica samples were prepared following the central composite design (CCD) in a segmented continuous flow reactor. Sodium silicate and CO 2 were used as the raw materials. Both quadratic model and SVM model were studied on the analysis of experimental data. SVM model showed better performance in fitting and predicting, which was attributed to the advantage of handling complex nonlinear correlations. Based on the response surface generated by the SVM model, correlations between experimental factors and diversity of silanol groups were identified. With the guidance of the SVM model, two samples with desired silica surface properties were prepared and attempted as supporting material s for heterogeneous catalysis. The impact of surface silanol groups on the catalytic performance was discussed.
研究领域:
材料科学
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化学工程
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催化科学
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2019
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IF 6.97
Fang Cheng,Hanqi Wang,Wei He,Bingbing Sun,Jing Zhao,Jingping Qu,Qing Wang
This article demonstrates the catalytic oxa-Michael reaction of inorganic silanol groups with vinyl sulfones, which facilitates an efficient strategy for functionalization of the silica surface. The strategy was applied on materials ranging from nanoscale to macroscale silica, and the surface functionalization was achieved in hours using organo-catalysts at mild temperature. The formation of Si–O–C bonds on the surface was characterized by solid-state 13C cross polarization-magic angle spinning nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. Our strategy showed several advantages over traditional methods, and the resulting Si–O–C bond exhibited distinct behaviors toward different solvents. Organic solvents would stabilize the functionalized silica materials, while aqueous solutions would result in degradation affected by both solution and surface factors. With use of divinyl sulfone as a cross-linker, a variety of molecules can be immobilized and sequentially released in a controllable manner, which would benefit a broad range of applications from sensing to drug and catalyst carriers.
研究领域:
材料科学
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化学工程
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生物医学工程
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DOI
高影响因子
Journal of Coatings Technology and Research
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2024
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IF 2.3
Cao Yu-Ting,Lu Shuai-Wei,Zhou Yu-hang,Wei Jun
The organosilicon intermediate with three hydroxyl groups was synthesized from isopropanol amine (MIPA) and (3-glycidoxypropyl) trimethoxy silane. Meanwhile, a polyurethane prepolymer, prepared by the polymerization of isophorone diisocyanate with 2, 2-bis(hydroxymethyl) propionic acid and polyethylene glycol (PEG-600) in sequence, was chain extended by the intermediate. Ultimately, methyl ethyl ketone oxime, a conventional isocyanate (NCO) blocking agent, was chosen to inactivate the branched polymers. Thus, a waterborne blocked crosslinker containing siloxane groups was achieved, which was further treated by a mixture of alcohol and water to obtain its hydrolyzed product, i.e., a crosslinker containing silanol groups. The structure and thermal properties of crosslinkers were analyzed by means of 1 H-NMR, FTIR, TG, and DTG, respectively. The gel content, hardness, and adhesion of the cured coatings were also investigated. The results confirm the crosslinker system containing silanol groups performs much better, and when the hardness reaches 0.64 or above, the adhesion can still be maintained above 1.2 MPa.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
PROGRESS IN ORGANIC COATINGS
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2024
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IF 6.5
Yu-Ting Cao,Shuai-Wei Lu,Yu-hang Zhou,Jun Wei
The organosilicon intermediate containing hydrophilic tertiary amines was synthesized from N-Methylmonoethanolamine (MEA) and (3-glycidyloxypropyl) trimethoxy silane (GPTMS), followed by neutralization with acetic acid (Ac). Meanwhile, a polyurethane (PU) prepolymer was prepared by sequentially polymerizing hexamethylene diisocyanate trimer (HT-100) with polyethylene glycol (PEG-600) and methoxy polyethylene glycol (MPEG), and then chain extended by the intermediate. Ultimately, methyl ethyl ketone oxime (MEKO) was selected to block the remaining NCO group, forming a branched polyisocyanate crosslinker . Subsequently, a linear polyisocyanate crosslinker was prepared in the same system by polymerizing hexamethylene diisocyanate (HDI) with the intermediate. Consequently, an organosilicon-modified waterborne blocked polyisocyanate crosslinker with a semi-interpenetrating network structure was obtained and further processed through hydrolysis to obtain the corresponding crosslinker containing silanol groups . The structure and thermal properties of the crosslinkers were analyzed using 1 H NMR, FT-IR, TG, and DTG. Furthermore, the comprehensive mechanical properties of the cured films were investigated. The results indicate that the crosslinker system containing silanol groups exhibits superior performance. When the films' maximum adhesion and the wiping resistance were optimized at 1.97 MPa and 72 times, respectively, the impact resistance still maintained above 85 cm.
研究领域:
材料科学
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化学工程
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DOI
高影响因子
CATALYSIS LETTERS
·
2025
·Vol. 155
·期 8
·1-12
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IF 2.4
Ma Xueqin,Shen Liuwei,Shi Gaolei,Zhang Xingguang
The selective oxidation of 5-hydroxymethylfurfural (HMF) to value-added products plays an important role in biomass catalytic transformation, which essentially depends upon design of highly efficient and selective catalysts. This study aims to identify contributions of silanols (Si-OH groups) on Ag/USY catalysts to regulating catalytic performances in selective oxidation of HMF to HMFCA (5-hydroxymethyl-2-furancarboxylic acid), by means of aluminium tri-sec-butoxide (AlBO) modification to suppress Si-OH groups of USY and 2,6-di-tert-butylpyridine (2,6-DTBPy) selective poison to shield Brønsted acid sites in the reaction system. The catalysts are characterized by XRD, BET, TEM, XPS and FT-IR to examine the crystal structures, surface areas, porosity, morphology, Ag distribution, chemical states, and surface adsorptive properties. The HMF conversion (44-49.2%) slightly changes with increasing AlBO content, whereas the HMFCA selectivity gradually goes down from 56.2 to around 22.1% and the levulinic acid (LA) selectivity minorly raises from 5.6 to 12.8%. The production of LA originates from enhanced Brönsted acid sites after AlBO modification, and the decline of HMFCA selectivity is principally attributed to the suppression of Si-OH groups that weakens the interaction between HMF reactants and catalysts. This work provides new insights into the role of surface modification in tailoring metal and zeolite-based catalysts for organic conversions. Graphical
研究领域:
催化化学
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生物质转化
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化学反应工程
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材料科学
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有机化学
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产品关联
DOI
高影响因子
Journal of Environmental Chemical Engineering
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2025
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IF 7.2
Chun Han,Yang Zhao,Mengmeng Zhang,Haiyan Pei
This study represents the first attempt to employ underutilized diatom frustules (DF) as a scaffold to enhance the dispersion and formation of zero-valent iron (ZVI), aiming to overcome the rapid passivation of ZVI in conventional zero-valent iron–activated peracetic acid (ZVI/PAA) system. Through use of a liquid-phase reduction method, a novel material, ZVI@DF, was synthesized. By adjusting the DF doping amount, the physicochemical properties of ZVI@DF can be modified. Under optimal conditions, the ZVI@DF/PAA system achieved over 98% methylene blue (MB) removal within 30 minutes, demonstrating a 30% efficiency improvement compared to conventional ZVI/PAA. The research also examined common water quality parameters, confirming that typical anions have minimal impact on the performance of the ZVI@DF/PAA system, resulting in stable pollutant removal efficiency. Electron paramagnetic resonance (EPR) experiments confirmed that HO•, R-O•, and •O 2 − radicals induced by ZVI activating PAA via silanol groups on DF are the main species for MB degradation. After four cycles, ZVI@DF maintains over 85% MB degradation efficiency. The amorphous silica nanoflower structure formed by doping with a small amount of DF significantly delays passivation, providing active sites for generating radicals to degrade pollutants. This study provides a new strategy for purifying emerging pollutants, recovering underutilized diatom materials, and activating PAA.
研究领域:
环境科学
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材料科学
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化学工程
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水处理技术
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产品关联
DOI
高影响因子
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