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Formic acid dehydrogenation reaction on high-performance Pd_(x)Au_(1−x) alloy nanoparticles prepared by the eco-friendly slow synthesis methodology

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Frontiers in Energy 2023年第6期17卷 751-762页

作者： Yibo GAO Erjiang HU Bo HUANG Zuohua HUANG State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Institute of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an 712000China

Dehydrogenation of formic acid (FA) is considered to be an effective solution for efficient storage and transport of hydrogen. For decades, highly effective catalysts for this purpose have been widely investigated, but numerous challenges remain. Herein, the Pd_(x)Au_(1−x) (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) alloys over the whole composition range were successfully prepared and used to catalyze FA hydrogen production efficiently near room temperature. Small PdAu nanoparticles (5–10 nm) were well-dispersed and supported on the activated carbon to form PdAu solid solution alloys via the eco-friendly slow synthesis methodology. The physicochemical properties of the PdAu alloys were comprehensively studied by utilizing various measurement methods, such as X-ray diffraction (XRD), N2 adsorption–desorption, high angle annular dark field-scanning transmission electron microscope (HAADF-STEM), X-ray photoelectrons spectroscopy (XPS). Notably, owing to the strong metal-support interaction (SMSI) and electron transfer between active metal Au and Pd, the Pd0.5Au0.5 obtained exhibits a turnover frequency (TOF) value of up to 1648 h−1 (313 K, nPd+Au/nFA = 0.01, nHCOOH/nHCOONa = 1:3) with a high activity, selectivity, and reusability in the FA dehydrogenation.

关键词： FA dehydrogenation face-centred cubic structures PdAu solid solution alloy nanoparticles slow synthesis methodology SMSI effect

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Effect of Particle Orientation on Heat Transfer in Arrays of Prolate Particles

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Computer Modeling in engineering & Sciences 2023年第8期136卷 1509-1526页

作者： Romana Basit Xinyang Li Zheqing Huang Qiang Zhou School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’anChina State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’anChina

Direct Numerical Simulations have been carried out to study the forced convection heat transfer of flow through fixed prolate particles for a variety of aspect ratios ar={5/4,5/3,5/1}with Reynolds number(Re)up to *** variations of the solid volume fraction c={0.1,0.2,0.3}with four Hermans orientation factors S={−0.5,0,0.5,1}are *** has been found that changes in S cause prominent variations in the Nusselt *** general,Nusselt number increases with the decrease of *** all three aspect ratios,the Nusselt number remains a linear function of S at different c and ***,it is concluded that,for heat transfer from prolate muti-particle system,the effects of orientations cannot be ignored.A new correlation for Nusselt number has been developed for arrays of prolate particles using the simulation data as a function of Re,c,S and ar.

关键词： Direct Numerical Simulation heat transfer lattice Boltzmann method particle orientations prolate particles

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Particle convective heat transfer near the wall in a supercritical water fluidized bed by single particle model coupled with CFD-DEM

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Particuology 2023年第2期73卷 47-58页

作者： Tianning Zhang Zhen Wan Youjun Lu State Key Laboratory of Multiphase Flow in Power Engineering(SKLMFPE) Xi'an Jiaotong UniversityXi'an710049ShaanxiChina Xi'an Electronic Engineering Research Institute Xi'an710100ShaanxiChina

Supercritical water fluidized bed(SCWFB)is a promising reactor to gasify biomass or *** optimization design is closely related to wall-to-bed heat transfer,where particle convective heat transfer plays an important *** paper evaluates the particle convective heat transfer coefficient(h_(pc))at the wall in SCWFB using the single particle *** critical parameters in the single particle model which is difficult to get experimentally are obtained by the computational fluid dynamics-discrete element method(CFD-DEM).The contact statistics related to particle-to-wall heat transfer,such as contact number and contact distance,are also *** results show that particle residence time(τ),as the key parameter to evaluate h_(pc),is found to decrease with rising velocity,while increase with larger thermal boundary layer thickness.τfollows a gamma function initially adopted in the gas-solid fluidized bed,making it possible to evaluate h_(pc) in SCWFB by a simplified single particle *** theoretical predicted h_(pc) tends to increase with rising thermal gradient thickness at a lower velocity(1.5 U_(mf)),while first decreases and then increases at higher velocity(1.75 and 2 U_(mf)).h_(pc) occupies 30%-57%of the overall wall-to-bed heat transfer coefficient for a particle diameter of 0.25 *** results are helpful to predict the overall wall-to-bed heat transfer coefficient in SCWFB combined with a reasonable fluid convective heat transfer model from a theoretical perspective.

关键词： Supercritical water Fluidized bed Particle residence time Discrete element method Single particle model

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Electrospinning engineering of gas electrodes for high-performance lithium-gas batteries

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Carbon Energy 2024年第10期6卷 353-398页

作者： Jingzhao Wang Xin Chen Jianan Wang Xiangming Cui Ze Wang Guangpeng Zhang Wei Lyu Maxim Shkunov S.Ravi P.Silva Yaozu Liao Kai Yang Wei Yan State Key Laboratory of Multiphase Flow in Power Engineering Department of Environmental Science and EngineeringSchool of Energy and Power EngineeringXi'an Jiaotong UniversityXi'anChina Advanced Technology Institute University of SurreyGuildfordSurreyUK State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua UniversityShanghaiChina

Lithium-gas batteries(LGBs)have garnered significant attention due to their impressive high-energy densities and unique gas conversion ***,the practical application of LGBs faces substantial challenges,including sluggish gas conversion kinetics inducing in low-rate performance and high overpotential,along with limited electrochemical reversibility leading to poor cycle *** imperative task is to develop gas electrodes with remarkable catalytic activity,abundant active sites,and exceptional electrochemical ***,a versatile and well-established technique for fabricating fibrous nanomaterials,has been extensively explored in LGB *** this work,we emphasize the critical structure-property for ideal gas electrodes and summarize the advancement of employing electrospun nanofibers(NFs)for performance enhancement in *** elucidating the fundamental principles of LGBs and the electrospinning technique,we focus on the systematic design of electrospun NF-based gas electrodes regarding optimal structural fabrication,catalyst handling and activation,and catalytic site optimization,as well as considerations for large-scale *** demonstrated principles and regulations for electrode design are expected to inspire broad applications in catalyst-based energy applications.

关键词： carbon nanofibers electrocatalyst electrospinning gas electrodes metal-gas batteries

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Modulating redox transition kinetics by anion regulation in Ni-Fe-X(X=O,S,Se,N,and P)electrocatalyst for efficient water oxidation

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Nano Research 2024年第6期17卷 4720-4728页

作者： Liting Wei Kaini Zhang Rui Zhao Lei Zhang Yan Zhang Suyi Yang Jinzhan Su International Research Center for Renewable Energy&State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Department of Applied Chemistry Yuncheng UniversityYuncheng 044000China

NiFe-based electrocatalysts will experience dynamical surface reconstruction during oxygen evolution reaction(OER)process,and the derived metal(oxy)hydroxide hybrids on the surface have been considered as the actual active species for *** efforts have been dedicated to understanding the surface reconstruction,but there is rare research on recognizing the origin of improved performance derived from anion species of ***,the OER electrocatalytic characteristics were tuned with different anions in NiFe-based catalyst,using NiFe-based oxides/nitride/sulfide/selenides/phosphides(NiFeX,X=O,N,S,Se,and P)as the model *** combination of X-ray photoelectronic spectroscopy,electrochemical tests,operando spectroscopic characterizations,and density functional theory(DFT)calculations,reveals that anion with lower electronegativity in NiFe-based catalyst leads to higher conductivity and delayed valence transition of Ni sites,as well as optimized adsorption behavior towards oxygen intermediates,contributing to enhanced OER ***,NiFeP electrocatalyst demonstrates an ultralow overpotential of 265 mV at 20 mA·cm−2 for OER,as well as long-term *** work not only offers further insights into the effect of anionic electronegativity on the intrinsic OER electrocatalytic properties of NiFe-based electrocatalyst but also provides guide to design efficient non-noble metal-based electrocatalysts for water oxidation.

关键词： oxygen evolution reaction(OER) anion species electronegativity valence transition

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Polyacrylate modified Cu electrode for selective electrochemical CO_(2) reduction towards multicarbon products

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Science Bulletin 2024年第15期69卷 2395-2404页

作者： Yuchuan Shi Kaini Zhang Chung-Li Dong Ta Thi Thuy Nga Miao Wang Daixing Wei Jialin Wang Yiqing Wang Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China Department of Physics Tamkang UniversityNew Taipei City 25137China

Highly selective production of value-added multicarbon(C^(2+))products via electrochemical CO_(2) reduction reaction(eCO_(2)RR)on polycrystalline copper(Cu)remains ***,the facile surface modification using poly(α-ethyl cyanoacrylate)(PECA)is presented to greatly enhance the C^(2+)selectivity for eCO_(2)RR over polycrystalline Cu,with Faradaic efficiency(FE)towards C^(2+)products increased from30.1%for the Cu electrode to 72.6%for the obtained Cu-PECA electrode at-1.1 V *** hydrogen electrode(RHE).Given the well-determined FEs towards C^(2+)products,the partial current densities for C^(2+)production could be estimated to be-145.4 mA cm~(-2)for the Cu-PECA electrode at-0.9 V *** in a homemade flow ***-situ spectral characterizations and theoretical calculations reveal that PECA featured with electron-accepting-C≡N and-COOR groups decorated onto the Cu electrode could inhibit the adsorption of^(*)H intermediates and stabilize the^(*)CO intermediates,given the redistributed interfacial electron density and the raised energy level of d-band center(E_(d))of Cu active sites,thus facilitating the C-C coupling and then the C^(2+)selective *** study is believed to be guidable to the modification of electrocatalysts and electrodes with polymers to steer the surface adsorption behaviors of reaction intermediates to realize practical eCO_(2)RR towards value-added C^(2+)products with high activity and selectivity.

关键词： Electrochemical CO_(2)reduction Polymer modification Electron transfer C_(2+)products

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Numerical investigations on cluster characteristics in the supercritical water circulating fluidized bed riser

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Particuology 2024年第11期94卷 281-293页

作者： Kenan Xi Runqing Li Xiazhi Li Mei Li Xiudong Xu Yu Zhang Hao Wang Youjun Lu Northwest Institute of Nuclear Technology Xi'an710024China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710049China Xi'an Institute of Applied Optics Xi'an710065China

There are currently no reports about clusters in the supercritical water circulating fluidized bed(SCWCFB).Simulations were conducted to investigate the numbers,diameters,aspect ratios,circularity,and orientation angles of cluster in the riser of SCWCFB via two-fluid model across different flow velocities,solid circulation rates,pressures,and *** results show that cluster numbers are mainly between 10 and 80 per *** are more at the bottom but less at the top,and more near the wall but less at the *** diameters are mainly between 0.2 and 0.5 times the bed *** are large at the bottom but small at the top,and large at the center but small near the *** aspect ratios are mainly between 0 and 1,indicating that most clusters have shorter width than their ***-like clusters are more likely to appear near the walls,and clusters at the center of the riser are more likely to be *** circularity is mainly between 0.2 and 0.4,suggesting that the shapes of clusters are far from the *** absolute values of cluster orientation angles are mainly between 75°and 90°,indicating that most clusters move in the vertical *** fluid velocities may facilitate cluster coalescence.

关键词： Supercritical water Circulating fluidized bed Cluster Two-fluid model Riser

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DISTRIBUTED MULTI-ENERGY SYSTEMS CONSIDERING power-TO-X TECHNOLOGY: PLANNING, SCHEDULING, AND PERFORMANCE ASSESSMENT 37

DISTRIBUTED MULTI-ENERGY SYSTEMS CONSIDERING POWER-TO-X TECH...

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37th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems, ECOS 2024

作者： Xue, Kai Wang, Jinshi Han, Xiaoqu Zhao, Quanbin Chong, Daotong Chen, Weixiong Yan, Junjie State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shannxi Xi'an China

ISBN: (纸本)9798331307660

The distributed multi-energy systems place emphasis on the complementary and local application of heterogeneous energy sources, and power to methanol process can be coupled, reducing carbon emissions while increasing the *** providing an economical and low-carbon solution, a real community energy system integrated with solar energy and natural gas has been investigated in this *** at the minimization of the daily cost referring to the net expenditure after considering the offsetting benefits, the carbon capture, water electrolysis, and methanol synthesis are combined, with the methanol and oxygen exported as *** capacity planning and operation scheduling have been performed, and the results indicated that the daily cost can be reduced by 69.67% compared to the conventional energy supply after the scheduling *** the case scenario and typical day, the production of methanol and oxygen is 6.30 t and 13.49 t based on an electricity demand of 28.78 MWh and a heat demand of 11.85 *** to the contribution of carbon capture, the purchase of 5.90 t of carbon allowances is avoided and instead there are 3.86 t of allowances available for ***, the effect of device capacity and operating parameters on economics has been *** study could help to promote the application of power to methanol in distributed energy systems. © 2024 37th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems, ECOS 2024. All rights reserved.

关键词： Carbon capture and utilization

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Construction of Z-Scheme In_(2)S_(3)-TiO_(2) for CO_(2) Reduction under Concentrated Natural Sunlight

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Chinese Journal of Structural Chemistry 2022年第1期41卷 34-39页

作者： Ya Liu Fangbo Yu Feng Wang Shengjie Bai Guiwei He State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

Producing chemical fuels from sunlight enables a sustainable way for energy *** various solar fuel generation approaches,photocatalytic CO_(2) reduction has the advantages of simple structure,mild reaction condition,directly reducing carbon emissions,***,most of the current photocatalytic systems can only absorb the UV-visible spectrum of solar ***,finding a way to utilize infrared light in the photocatalytic system has attracted more and more ***,a Z-scheme In_(2)S_(3)-TiO_(2) was constructed for CO_(2) reduction under concentrated natural *** infrared light was used to create a high-temperature environment for photocatalytic *** evolution rates of H2,CO,and C2H5OH reached 262.2,73.9,and 27.56μmol・h^(-1)・g^(-1),respectively,with an overall solar to fuels efficiency of 0.002%.This work provides a composite photocatalyst towards the utilization of full solar light spectrum,and could promote the research on photocatalytic CO_(2) reduction.

关键词： solar energy CO_(2) In_(2)S_(3) TiO_(2)

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High tension cyclic hydrocarbons synthesized from biomass-derived platform molecules for aviation fuels in two steps

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Green Energy & Environment 2023年第1期8卷 331-337页

作者： Zhanchao Li Yizhuo Wang Qing Li Liqing Xu Hong Wang Frontier Institute of Science and Technology Xi'an Jiaotong UniversityXi'an710054China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710054China

Synthesizing ring structure aviation fuels from biomass-derived platform molecules is challenging,especially for bridged ring structure aviation fuels which are typically achieved from fossil-derived ***,we report the synthesis of a series of ring structure biofuels in two steps by a combination of a solvent-free Michael-cyclization reaction and a hydrodeoxygenation(HDO)reaction from lignocellulosederived 5,5-dimethyl-1,*** biofuels are obtained with high overall yields up to 90%,which exhibit high densities of 0.81 g cm^(-3)-0.88 g cm^(-3)and high volumetric neat heat of combustion(VNHOC)values of 36.0 MJ L^(-1)-38.6 MJ L^(-1).More importantly,bridged-ring structure hydrocarbons can also be achieved in two steps by a combination of a Robinson annulation reaction and an HDO reaction to afford the final products at high overall yields up to 90%.The bridged-ring structure products have comparable high densities and high VNHOC values to the best artificial fuel JP-10(0.94 g cm^(-3)and 39.6 MJ L^(-1)).The results demonstrate a promising way for the synthesis of high-density aviation fuels with different fuel properties at high yields.

关键词： Biofuels 5,5-Dimethyl-1,3-cyclohexanedione Solvent-free Michael-cyclization Robinson annulation Green reaction

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