JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
·
2024
·
IF 1.9
Haoda Zhang,Peng Deng,Zhou Wang,Yuxuan Bai,Yongjin Li
A facile rapid-combustion process was introduced for preparing magnetic CoxMgyCu(1-x-y)Fe2O4 nanoparticles, and to enhance their specific surface area and saturation magnetization, the optimization involved adjusting the element proportion, calcination temperature, and solvent amount. The optimal element proportion of x:y:(1-x-y) for CoxMgyCu(1-x-y)Fe2O4 nanoparticles was 0.1:0.7:0.2, and the effects of solvent amount, and calcination temperature were also investigated. The average particle size and specific surface area of Co0.1Mg0.7Cu0.2Fe2O4 nanoparticles calcined at 400 °C with 25 mL absolute alcohol were 17.9 nm and 56.96 m2/g, respectively; while demonstrating a saturation magnetization of 8.5 emu/g. To solve the increasingly severe issue of water pollution, these nanoparticles were employed to efficiently treat dye wastewater containing methyl blue (MB). After fitting kinetic and isotherm models, the adsorption process of magnetic Co0.1Mg0.7Cu0.2Fe2O4 nanoparticles for MB dominated by chemisorption and was a multilayer adsorption process. The adsorption isotherm experiments revealed a remarkable maximum adsorption capacity of methyl blue, reaching 2255.7 mg/g, within the concentration range of MB from 400 to 4000 mg/L. The thermodynamic analysis indicated the spontaneity of the exothermic adsorption process. The studies on the effect of pH also led to satisfying results; while the residual adsorption capacity could still remain 91.2% initial adsorbance after 12 times recycle. The outstanding recycling ability, resistance to ionic strength, and pH resistance distinguished the magnetic Co0.1Mg0.7Cu0.2Fe2O4 nanoparticles among vast adsorbents. These results highlight the significant potential of these nanoparticles for treating dye wastewater.
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高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2024
·
IF 4.1
Xianyi Jiang,Zilong Deng
In this study, we designed a microfluidic configuration incorporating with a directional channel perpendicular to the main channel before a Y-junction, enabling precise control over droplet splitting by adjusting the directional flow rate. Our experiments revealed four distinct flow regimes and the fitting formula accurately predicted the critical directional points in the flow regime map under different capillary numbers. Trajectory analysis of the solid cores demonstrated that their displacement within compound droplets is influenced by both the directional and main channel flow rates, and we proposed a theoretical model to accurately predict this displacement. Moreover, particle image velocimetry experiments are conducted to provide insights into the velocity field evolution across different flow regimes, highlighting the significant impact of flow rates on droplet deformation, splitting, and solid core movement. The results enhance the controllability of microfluidic systems and broaden their applicability in fields like biomedicine and chemical engineering.
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高影响因子
FUEL
·
2022
·
IF 8.035
Shijie Wang,Yihang Chen,Yu Jia,Chen Wang,Guizhuan Xu,Youzhou Jiao,Chao He,Chun Chang,Qianhui Guo
An effective catalytic strategy for the conversion of glucose to 5-ethoxymethylfurfural (EMF) catalyzed by ultrastable Y zeolite (USY) in a co-solvent system was developed. Effects of co-solvent and reaction conditions were first investigated. Tetrahydrofuran (THF) with low dipolarity/polarizability (π*) was screened as the appropriate co-solvent, and a higher EMF yield of 41.46% was obtained as the ratio of ethanol to THF was 7:3. The macroscopic reaction kinetic study indicated that THF can protect EMF from easy degradation to EL. Moreover, the reusability and the characterization of USY verified the feasibility of USY as an efficient solid acid catalyst. In this study, density functional theory (DFT) calculations for the catalytic mechanism and solvent effect at the molecular scale were performed for the first time. The extra-framework aluminum species (EFAL), in which Al 3+ played an essential role in the reaction as the preferred EFAL species, and THF can reduce the energy barrier of USY-catalyzed glucose isomerization . Meanwhile, the inhibitory effect of THF on EMF alcoholysis was explored via the frontier molecular orbital theory. The results showed that THF increased the LUMO energy of EMF compared with ethanol and γ-valerolactone, which decreased its susceptibility to nucleophilic attack and reduced the adverse alcoholysis of EMF and humins formation. This study provided an enlightening reference for the efficient synthesis of EMF from carbohydrates catalyzed by solid acid catalyst under solvent effect.
研究领域:
化学工程
·
催化化学
·
计算化学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2012
·
IF 1.693
Xiao-Ming Peng,Yu-Feng Hu,Jin-Zhu Zhang,Zhi-Xin Wang,Zhe-Yu Li,Chao Miao
Viscosities were measured for the ternary systems Y(NO3)3 + Ce(NO3)3 + H2O, Y(NO3)3 + Nd(NO3)3 + H2O, and Ce(NO3)3 + Nd(NO3)3 + H2O and their binary subsystems Y(NO3)3 + H2O, Ce(NO3)3 + H2O, and Nd(NO3)3 + H2O at (293.15, 298.15, and 308.15) K and atmospheric pressure. The results were used to test the applicability of simple equations for the viscosity of mixed solutions. The predictions agree well with measured values, implying that the viscosities of the examined electrolyte solutions can be related to those of their constituent binary solutions using these simple equations.
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Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Tuo Zheng,Haiyan Fan,Jia Zhao,Jile Fu,Songshou Ye,Sajid Ali,Nuowei Zhang,Jinbao Zheng,Binghui Chen
In diesel adsorption desulfurization, the coordination bonding between the adsorbent and sulfur compounds is interfered by aromatic compounds in diesel. Transition metal cation exchanged zeolites Y has exhibits exceptional anti-interference performance. In this work, the influence of electron configuration on coordination bonding is explored, specifically between the adsorbent and substrate, using both experimental and DFT theoretical methods. Initially, NiY, CuY and ZnY were synthesized and evaluated for their desulfurization performance in model solution (sulfur content: 25 ppmw dibenzothiophene [DBT]) with two toluene concentrations (1 w% and 3 w%). It is found that CuY showed the highest performance with retention rate at 70.2 %. Subsequently, DFT calculations revealed the binding energy between Cu(II) and DBT was −2.71 eV, higher than Ni(II) and Zn(II), and that between Cu(II) and toluene was −1.75 eV, lower than Ni(II) and Zn(II), indicating that the highest binding energy difference was responsible for the best adsorption capability. Apart from these, wave function analysis show the electron configuration between Cu(II) and DBT had the highest binding energy difference. Finally, the impact of electron configuration on adsorption performance is further investigated by modulating the electron configuration of Ni(II) to enhance/suppress its adsorption capability. According to the findings of this study, tuning the electron configuration is an effective strategy to develop materials in adsorptive desulfurization particularly for extra low sulfur content.
研究领域:
化学工程
·
材料科学
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高影响因子
JOURNAL OF THE ENERGY INSTITUTE
·
2025
·
IF 6.2
Ruobing Wang,Hongli Zheng,Changfu You,Haiming Wang
Chemical looping reforming of methane (CLRM) is a promising technology for syngas production, offering efficient utilization of CH 4 to generate syngas with a desirable H 2 /CO ratio for downstream applications. This study investigated the influence of Ni incorporation in Y-Fe-Al garnet-type oxygen carriers (OCs) in CLRM. The Ni 0.2 -Y-Fe-Al OC demonstrated a pronounced enhancement in performance compared to its undoped counterpart, elevating the methane conversion from 66.6 % to 98.4 % and increasing the syngas yield from 5.79 to 8.38 mmol g −1 at 850 °C. The incorporated Ni species introduced additional active sites for methane activation, enhanced surface basicity, and improved lattice oxygen mobility, which collectively facilitated the selective oxidation of methane to syngas, especially at low temperatures (<850 °C). Cyclic tests confirmed that Ni incorporation enhanced the redox stability and mitigated phase segregation, leading to sustained high reactivity over multiple cycles. In situ DRIFTS analysis verified that the fundamental reaction pathway, proceeding via the -CH 3 →-CH 2 →-CHO intermediates, remained unaltered after Ni addition. This work established that incorporating Ni in garnet-type OCs is an effective strategy for enhancing both redox activity and cyclic stability in CLRM systems.
研究领域:
材料科学
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能源化学
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催化化学
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无机化学
·
化学工程
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DOI
高影响因子
SOLID STATE SCIENCES
·
2022
·
IF 3.752
Yuncheng Zhou,Qiuyu Cheng,Bin Li,Peng Jiang,Wenbin Cao,M.A. Subramanian
A new solid solution based on general formula Ba 4 In 2- x Mn x O 7+ y (0 ≤ x ≤ 0.2) has been successfully synthesized by the sol-gel method. The compounds exhibited grass green to olive colors. The origin of the color apparently due to the presence of Mn 4+ as a chromophore in square pyramidal coordination. The X-ray diffraction results showed that the space group of all samples is I 4/ mmm . The oxidation state of Mn ion is confirmed to be +4 from the results of magnetization measurements and X-ray photoelectronic spectra (XPS). The color of Ba 4 In 2 O 7 is white. With a small amount of Mn substitution, the color of Ba 4 In 2- x Mn x O 7+ y solid solution changes to grass green, and it turned to olive green when x = 0.2. The UV–Vis absorbance spectra revealed that the absorption peaks are fitted with d 3 (Mn 4+ ) configuration in the square pyramid, and the mechanism of color is explained.
研究领域:
材料科学
·
化学
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高影响因子
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
·
2025
·Vol. 109
·期 1
·e70407
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IF 3.8
Yuwei Zhang,Cuiwei Li,Guangjin Chen,Chenran Zhao,Zhikun Song,Kepi Chen,Haoran Sun,Linghao Wu,Junhui Xiang
A series of (Y, Yb, Zr, Hf, Sn, W)O 2−δ high-entropy ceramics with varying mole fraction of main elements were synthesized for the first time through the solid-state reaction synthesis method. The microstructure, phase composition, and properties of the prepared materials were thoroughly analyzed and tested. The results indicate that the phase composition transformed from a single-phase fluorite structure to a single-phase C-type rare earth sesquioxide structure as the mole fraction of +3 cations increases. The thermal conductivity of the prepared high-entropy ceramics with porosity of 49.8%–50.1% is very low ranging from 0.33 to 0.37 W·m −1 ·K −1 . Among them, the single-phase C-type rare earth sesquioxide with a higher oxygen vacancy concentration was employed as a catalyst in the CO 2 hydrogenation reaction, attaining a high CO 2 conversion rate of 82.0%. The obtained results have deepened understanding of the role of oxygen vacancies and have important guiding significance for the study of high-entropy oxides with fluorite derived structures.
研究领域:
材料科学
·
陶瓷
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催化
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能源材料
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固态化学
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DOI
高影响因子
Materials
·
2026
·Vol. 19
·期 12
·2515
·
IF 3.7
Zhaohui Ma,Guoqing Yan,Xiao Yan,Haiyang Ding,Gang Wu,Shunli Zhang,Jiandong Zhang,Weidong Chen,Lijun Wang
HighlightsDynamic shift of oxygen mediator from Ca to metallic Y by increasing chlorine potential, explaining non-monotonic O variation in Zr.Establishment of three-phase equilibrium (Y–YOCl–YCl3) enabling in-depth deoxidation of Zr down to 20 ppm at 1173 K.Synergistic mechanism of O and Cl potentials clarified, providing a novel framework for designing efficient gettering systems.Zirconium (Zr) is a strategic metal resource whose performance is significantly degraded by high oxygen content. The external gettering process is an effective approach for in-depth deoxidation of Zr. In this study, the deoxidation behavior of Zr in the Ca-Y-CaCl2external gettering system was investigated by adjusting the chlorine potential through YCl3addition. The change of oxygen potential and its synergistic control mechanism during the variation of chlorine potential were systematically examined. The results demonstrated that with increasing chlorine potential, the system undergoes a sequence of reactions: chlorination of Ca, formation of metallic Y, formation of YOCl, dissolution of Y2O3, and formation of YCl3, ultimately reaching a three-phase equilibrium of Y-YOCl-YCl3. During this process, the oxygen content of Zr fluctuates notably, which is primarily attributed to the shift in the oxygen-transfer medium from Ca to Y. This transition changes the oxygen potential control mechanism from indirect Y-Ca control to direct Y control. After reaching equilibrium at 1173 K for 72 h, the equilibrium oxygen content of Zr initially remains stable with increasing chlorine potential, then gradually decreases, eventually reaching 20 ppmw. This trend is consistent with the mutual interaction of oxygen potential and chlorine potential. The findings provide important theoretical insights into the interaction between oxygen and chlorine potentials in deoxidation systems, elucidate the multi-element synergistic mechanism for oxygen control, and contribute to the design of efficient deoxidation systems.
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PubMed
高影响因子
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
·
2026
·Vol. 46
·期 9
·118223
·
IF 6.3
Lan Gao,Yun Zhang,Xi Jiang,Shihua Ding
Ga 3+ heterovalent substitution for Zn 2+ was beneficial for modifying ZnZrTa 2 O 8 ceramic. The enlarged Q × f was caused by a combination of grain size and total lattice energy U Total increase. The improvement of τ f was attributed to the increase in Ta-O bond energy. Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 ceramics exhibited optimal Q × f of 103,236 ± 2155 GHz (@7.38 GHz) and τ f = -17.65 ± 1.61 ppm/℃. The improved τ f provided great convenience for gaining temperature stable dielectric ceramics. Afterward, ZnTa 2 O 6 as a temperature compensator was added to adjust the τ f to zero. The Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 dissolved into ZnTa 2 O 6 lattice. As a result, 0.4Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 -0.6ZnTa 2 O 6 ceramic sintered at 1350 ℃ obtained the desirable dielectric properties: ε r = 28.18 ± 0.01, Q × f = 81,919 ± 394 GHz (@6.70 GHz), τ ƒ = -0.51 ± 0.06 ppm/℃.
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高影响因子
FUEL
·
2026
·
IF 7.8
Aolue Yan,Yanhong Quan,Yan Li,Jun Ren
Cu aggregation has been a significant obstacle to promoting the catalytic performance of methanol dehydrogenation for the production of high hydrogen storage chemical methyl formate (MF). Catalysts composed of Cu with different loading ( x = 5, 10, 15, 20 wt%) supported on dealuminated mesoporous Y zeolite (mY-deAl) had been prepared by mechanical grinding method and used in methanol dehydrogenation for MF. 10Cu/mY-deAl with appropriate Cu loading exhibited the largest MF yield of 31.9%, which was approximately 30 times higher than that of Cu/mY of 1.0% under 280 °C and 0.2 MPa. The excellent behavior was proved to be attributed to the development of amounts of mesoporous allowing the Cu particle enter into as well as the formation of Al vacancies anchoring optimal amount of Cu, induced by the dealumination of Y. Furthermore, the closely linear relationships between Cu dispersion and TOF Cu , along with that between active Cu 0 concentration and MF selectivity were revealed. The less Cu loading could not provide enough active sites for the conversion of methanol (22.0%) even though having the best dispersion, while the excessive Cu loading would result in Cu aggregation in the mesopores deriving from the limit of Al vacancies. This contribution innovatively provided a kind of Cu supported Y catalyst and clearly elucidated the promotion mechanism of catalytic performance driven by the synergy of Al vacancies and mesopores in methanol dehydrogenation to MF.
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ACS Catalysis
·
2026
·
IF 13.6
Tianyao He,Yuzhen Zhang,Gan Li,Xiang Tu,Fengqing Zhuo,Jian Ji,Fengbo Yu,Guobo Li,Wenming Liu,Lu Wei,Jiguang Deng,Weili Dai,Honggen Peng
We report the rational design and precise construction of Y zeolite-encapsulated Pd catalysts featuring coexisting single atoms and clusters (Pd1+n@Y) that enable the efficient and low-temperature total oxidation of propane. Fine tuning of Pd loading and synthesis conditions in a PVP-assisted one-pot hydrothermal approach affords controllable confinement of dual active sites (isolated Pd single atoms and clusters). Catalytic evaluations reveal that Pd1+n@Y exhibits a T90 of only 265 °C, significantly outperforming the single-site counterparts (Pd1@Y and Pdn@Y). Combining density functional theory (DFT) calculations with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) studies elucidates a stepwise synergistic mechanism wherein Pd single atoms preferentially activate the C–H bond in propane to form alkyl intermediates, while Pd clusters facilitate O2 activation and C–C bond cleavage to complete oxidation. This work establishes a robust “single atom–cluster” synergistic paradigm for designing advanced catalysts for the abatement of light alkanes.
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