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Regulation on polymerization degree and surface feature in graphitic carbon nitride towards efficient photocatalytic H2 evolution under visible-light irradiation

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Journal of Materials Science & Technology 2022年第3期98卷 160-168页

作者： Cheng Cheng Chung-Li Dong Jinwen Shi Liuhao Mao Yu-Cheng Huang Xing Kang Shichao Zong Shaohua Shen International Research Center for Renewable Energy(IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering(MFPE)Xi'an Jiaotong University(XJTU)28 West Xianning RoadXi’an 710049China Department of Physics Tamkang University151 Yingzhuan RoadTamsui 25137TaiwanChina

A kind of graphitic carbon nitride(TSC-550) with high polymerization degree and improved surface property was prepared by a new precursor of thiosemicarbazide. The sulfur motif and high nitrogen content in thiosemicarbazide promoted the polymerization of thiosemicarbazide to form graphitic carbon nitride framework with high degree of polymerization, which significantly influenced the electronic structure and surface chemical properties. TSC-550 possessed a narrow bandgap of 2.19 eV that facilitated the utilization of visible light, and possessed a less positive charge, acidic surface that resulted in enhanced hydrogen adsorption ability in water solution, which promoted the H;evolution kinetics. In addition, the extended π-conjugated electronic system promoted the separation and migration of photogenerated charge carries in plane of TSC-550 framework, as well as the increasing interlayer C–N interactions in TSC-550 created conductive paths across the layers to tunnel interlayers for rapid electron transportation. As a result, TSC-550 nanosheets showed excellent photocatalytic H;production activity,the AQY achieved 36.4% at 425 nm.

关键词： Degree of polymerization Graphitic carbon nitride Photocatalysis Solar energy Hydrogen

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Uniform deposition of ultra-thin TiO_(2) film on mica substrate by atmospheric pressure chemical vapor deposition: Effect of precursor concentration

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Chinese Journal of Chemical engineering 2023年第8期60卷 99-107页

作者： Ming Liu Ying Li Rui Wang Guoqiang Shao Pengpeng Lv Jun Li Qingshan Zhu State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical&Environmental Engineering China University of Mining and Technology-BeijingBeijing 100083China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

The performance of pearlescent pigment significantly affected by the grain size and the roughness of deposited film. The effect of TiCl_(4) concentration on the initial deposition of TiO_(2) on mica by atmospheric pressure chemical vapor deposition(APCVD) was investigated. The precursor concentration significantly affected the deposition and morphology of TiO_(2) grains assembling the film. The deposition time for fully covering the surface of mica decreased from 120 to 10 s as the TiCl_(4) concentration increased from 0.38%to 2.44%. The grain size increased with the TiCl_(4) concentration. The AFM and TEM analysis demonstrated that the aggregation of TiO_(2) clusters at the initial stage finally result to the agglomeration of fine TiO_(2) grains at high TiCl_(4) concentrations. Following the results, it was suggested that the nucleation density and size was easy to be adjusted when the TiCl_(4) concentration is below 0.90%.

关键词： Chemical vapor deposition TiO_(2)thin film Nucleation reaction Precursor concentration Pearlescent pigment

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Study on ionic liquids based novel method for separation and purification of silkworm pupa protein

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Chinese Chemical Letters 2023年第1期34卷 382-387页

作者： Wen Zhang Shaoqi Yang Baozeng Ren Xingmei Lu Cai Jia Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Zhengzhou Institute of Emerging Industrial Technology Zhengzhou 450000China Key Laboratory of New Materials and Facilities for Rural Renewable Energy of Ministry of Agriculture and Rural Affairs College of Mechanical&Electrical EngineeringHenan Agricultural UniversityZhengzhou 450002China School of Chemical Engineering Zhengzhou UniversityZhengzhou 450001China

Silkworm pupa protein(SPP)that obtained by traditional method usually had a high fat content,which would impose restrictions on the further use of ***,various functionalized ionic liquids(ILs)were used to extract SPP from silkworm pupae,the structure-performance relationship of ILs with their SPP separation performance were explored at the same *** research showed that the maximum extraction yield of SPP was up to 62.6%with less than 0.5%low fat content by using 1-ethyl-3-methylimidazolium chloride([Emim]Cl),when the dissolution experiment was conducted at 90°C for 24 h with ethanol bath as the regeneration *** with the structure of raw material,the regenerated SPP maintained the native protein ***,all regenerated SPP showed a decreased crystallinity,which also exhibited decreased fraction of theα-helix comparing to thatβ-sheet united with coil random structures.

关键词： Silkworm pupa protein Ionic liquids Protein backbone Silkworm pupa Separation

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Reduction kinetics of SrFeO_(3−δ)/CaO∙MnO nanocomposite as effective oxygen carrier for chemical looping partial oxidation of methane

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Frontiers of Chemical Science and engineering 2022年第12期16卷 1726-1734页

作者： Xinhe Wang Liuqing Yang Xiaolin Ji Yunfei Gao Fanxing Li Junshe Zhang Jinjia Wei State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an 710049China Institute of Clean Coal Technology East China University of Science and TechnologyShanghai 200237China Department of Chemical and Biomolecular Engineering North Carolina State UniversityRaleighNC 27695USA

Chemical looping reforming of methane is a novel and effective approach to convert methane to syngas,in which oxygen transfer is achieved by a redox *** lots of efforts have been made to develop high-performance redox materials,a few studies have focused on the redox *** this work,the kinetics of SrFeO_(3−δ)–CaO∙MnO nanocomposite reduction by methane was investigated both on a thermo-gravimetric analyzer and in a packed-bed *** the methane reduction,combustion occurs before the partial oxidation and there exists a transition between *** weight loss due to combustion increases,but the transition region becomes less inconspicuous as the reduction temperature *** weight loss associated with the partial oxidation is much larger than that with *** rate of weight loss related to the partial oxidation is well fitted by the Avrami–Erofeyev equation with n=3(A3 model)with an activation energy of 59.8 kJ∙mol^(‒1).The rate law for the partial oxidation includes a solid conversion term whose expression is given by the A3 model and a methane pressure-dependent term represented by a power *** partial oxidation is half order with respect to methane *** proposed rate law could well predict the reduction kinetics;thus,it may be used to design and/or analyze a chemical looping reforming reactor.

关键词： chemical looping reforming SrFeO_(3−δ) CaO·MnO nanocomposite reduction kinetics Avrami–Erofeyev model pressure-dependent term

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Numerical Study on Influence of Platen Super-Heaters on Heat Deviation in a 600 MW Tangentially Fired Pulverized-Coal Boiler 9th

Numerical Study on Influence of Platen Super-Heaters on Heat...

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9th International Symposium on Coal Combustion, ISCC 2019

作者： Chen, Kai Zhang, Yan Deng, Lei Che, Defu School of Mechanic Engineering Xijing University Xi’an710123 China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9789811616563

In order to investigate effects of platen super-heaters on the heat deviation in the cross-over pass, numerical simulation of a 600 MW tangentially fired pulverized-coal boiler has been studied. Two cases, building super-heaters or not, were established by FLUENT software in this study. Numerical results agree well with measured data of the utility boiler. Results show platen super-heaters break symmetry of velocity distribution at the furnace outlet. The position where peak temperature occurs is affected by platen super-heaters, while the position where peak velocity occurs is not. Platen super-heaters slightly reduce the temperature deviation at the furnace outlet, and enhances the velocity deviation at the furnace outlet. For this boiler, the velocity deviation is the main reason for the heat deviation in the cross-over pass. The simulation results in this study can provide reference for optimization of temperature deviation and velocity deviation in tangentially fired pulverized-coal boiler. © 2022, Tsinghua University Press.

关键词： Furnaces

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Deformation Analysis and Prediction of Pneumatic Probe Based on Fluid-structure Interaction

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International Journal of Fluid Machinery and Systems 2023年第1期16卷 1-13页

作者： Fan, Yang Dexin, Qiu Xinwei, Zhao Qingyi, Sai Xiaoshu, Cai School of Energy and Power Engineering University of Shanghai for Science and Technology No. 516 Jungong Road Shanghai200093 China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Sh anghai for Science and Technology No. 516 Jungong Road Shanghai200093 China

As an essential tool for measuring flow field, pneumatic probes have gained a wide range of applications. In order to obtain the flow field parameters accurately, it is also crucial to study the deformation of the pneumatic probe structure in flow field. In this paper, the deformation of the conical probe is numerically simulated under the condition of steady incoming flow in the transonic flow field. The fluid-structure interaction and modal analysis methods are used to obtain the deformation and vibration frequency of the probe. The results show that the vibration of the probe is underdamped under the action of two-way fluid-structure interaction, and the total deformation decays exponentially, and the total deformation after stabilization is the same as the result of one-way fluid-structure interaction. For the same material probe, the total deformation changes with time in the same dimensionless expression, and the vibration frequency as well as damping factor do not change due to the variation of flow field. The accuracy of the dimensionless expressions was verified by different incoming flow conditions and the probe material. For the cases studied in this paper, the maximum total deformation, vibration frequency and damping factor of the probe in the flow field can be obtained by using one-way fluid-structure interaction, modal analysis and two-way fluid-structure interaction with a small number of cycles, respectively, so that the total deformation of the probe in the flow field can be predicted over time. The method obtained in this paper can significantly reduce the calculation time for obtaining the probe deformation data in the flow field and improve the work efficiency, which can provide a reference for the design, calibration and application of probes in engineering applications. © 2023, Turbomachinery Society of Japan. All rights reserved.

关键词： Modal analysis

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Experimental Study on flow Boiling and Circumferential Non-Uniform Heat Transfer Characteristics in Helically-Coiled Tube Under Coupled Heat Transfer Conditions

SSRN

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SSRN 2024年

作者： Wang, Hengyuan Xuan, Qiyu Lei, Hailin Li, Xi Li, Zhibin Li, Huixiong State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

Because of its compact structure and high energy conversion efficiency, helically-coiled tube steam generator has been widely used in nuclear reactor, energy power, petrochemical and other systems. In the liquid metal reactor, the liquid metal on the primary side of the helically-coiled tube steam generator washes the helically-coiled tube bundles, and exchanges heat with the water on the secondary side. Due to the coupled heat transfer between liquid metal and water, the distribution of the wall temperature or heat transfer coefficient of helically-coiled tube are significant different in the circumference direction of the tube cross-section. An experimental system of helically-coiled tube steam generator was set up in this paper. The non-uniform heat transfer characteristics of secondary side fluid of helically-coiled tube steam generator were studied under the coupled heat transfer conditions between the heat transfer of primary side and secondary sides fluid. It was found the local wall temperature or local heat transfer coefficient in the circumferential direction of the tube cross-section was significantly different, and they showed different change trends with the change of the parameters such as subcooling degree, mass flux of the secondary side fluid, system pressure of secondary side fluid, heating temperature of primary side fluid, etc. Secondly, ηt and ηh were defined to represent the degree of local non-uniformity of local wall temperature or local heat transfer coefficient in the circumferential distribution of the tube cross-section, respectively. δt and δh were defined to characterize the degree of overall non-uniformity of wall temperature or heat transfer coefficient in the circumferential distribution of the tube cross-section, respectively. The variation rules of ηt and ηh, δt and δh with subcooling degree、system pressure、mass flux of primary side fluid、mass flux of secondary side fluid and heating temperature of primary side fluid were obtained.

关键词： Steam generators

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ReaxFF-MD simulation investigation of the degradation pathway of phenol for hydrogen production by supercritical water gasification

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Energy Storage and Saving 2023年第4期2卷 578-585页

作者： Deming Zhang Shaoqi Wang Yu Feng Zixuan Wang Hui Jin School of Mechanical Engineering and Automation Harbin Institute of TechnologyShenzhenGuangdong518055China Institute of Intelligent Ocean Engineering Harbin Institute of TechnologyShenzhenGuangdong518055China State Key Laboratory of Multiphase Flow in Power Engineering(SKLMF) Xi’an Jiaotong UniversityXi’an710049China

Wastewater from the thermochemical conversion of coal and biomass contains a significant amount of phenolic structures *** degradation of these phenolic compounds to hydrogen-rich gasses can prevent envi-ronmental pollution and save *** water(SCW)gasification of phenol is experimentally studied and a reactive force field molecular dynamics(ReaxFF-MD)simulation is conducted to investigate the catalytic mechanism of Ni/Al2 O3 in the phenol *** experimental results indicate that Ni/Al2 O3 facilitates the conversion of phenol to 1-ethoxy butane via ring opening,which is a crucial step for complete *** ReaxFF-MD simulation demonstrated that Ni facilitates the formation of H3 O free radicals and Ni-phenol inter-mediates.H3 O free radicals can be decomposed into H2 and OH free *** the generated OH free radical and Ni-phenol intermediate promote the ring-opening reaction of *** promotes the direct decomposition of phenol into C1,C2,and C3 fragments,which is beneficial for further complete gasification.

关键词： Supercritical water gasification Phenol degradation Ring opening process ReaxFF-MD

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Comparative analysis on gas–solid drag models in MFIX-DEM simulations of bubbling fluidized bed

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Chinese Journal of Chemical engineering 2023年第12期64卷 64-75页

作者： Ruiyu Li Xiaole Huang Yuhao Wu Lingxiao Dong Srdjan Beloševic Aleksandar Milicevic Ivan Tomanovic Lei Deng Defu Che State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049China Shunde Institute of Inspection Guangdong Institute of Special Equipment Inspection and ResearchFoshan 528300China Department of Thermal Engineering and Energy "VINCA" Institute of Nuclear Sciences–National Institute of the Republic of SerbiaUniversity of BelgradeMike Petrovica Alasa 12-1411351 VincaPO Box 52211001 BelgradeSerbia

In this study,the open-source software MFIX-DEM simulations of a bubbling fluidized bed(BFB)are applied to assess nine drag models according to experimental and direct numerical simulation(DNS)*** influence of superficial gas velocity on gas–solid flow is also *** results show that according to the distribution of time-averaged particle axial velocity in y direction,except for Wen–Yu and Tenneti–Garg–Subramaniam(TGS),other drag models are consistent with the experimental and DNS *** the TGS drag model,the layer-by-layer movement of particles is observed,which indicates the particle velocity is not correctly *** time domain and frequency domain analysis results of pressure drop of each drag model are *** is recommended to use the drag model derived from DNS or fine grid computational fluid dynamics–discrete element method(CFD-DEM)data first for CFD-DEM *** the investigated BFB,the superficial gas velocity less than 0.9 m·s^(-1) should be adopted to obtain normal hydrodynamics.

关键词： MFIX-DEM Simulation Dense flow Gas-solid Bubbling fluidized bed Drag model

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Experimental Investigation on Product and Temperature Distribution in a Continuous flow Packed-Bed Reactor for Dodecahydro-N-Ethylcarbazole Dehydrogenation

SSRN

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SSRN 2024年

作者： Xue, Jingwen Li, Pengzhao Yu, Pengfei Yi, Jinhao Ma, Tao Liu, Hu Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'An710049 China

The dehydrogenation of dodecahydro-N-ethylcarbazole (H12-NEC) generates enormous gas accompanied by intense heat absorption, affecting heat and mass transfer in porous catalysts. A packed-bed reactor equipped with a temperature measurement device was designed to investigate the continuous flow dehydrogenation of H12-NEC. The effects of weight hourly space velocity (WHSV), reaction temperature, catalyst particle size, and pressure were evaluated. The results reveal that the volume flow rate of hydrogen will increase with the increase of WHSV. And the generation of hydrogen enhances heat transfer by strengthening the perturbation of flow. As the temperature rises, the hydrogen yield increases along with more by-products. The decrease of catalyst particle size improves the hydrogen yield and a more uniform temperature distribution can be created within the reactor due to the weakened wall effect. 456 K and 2 mm of catalyst particle size are determined to be the optimal reaction conditions in the study, achieving the hydrogen production rate of 9.61 [[EQUATION]]. With pressure increasing, the hydrogen yield gradually decreases, but the decreased evaporation of H12-NEC results in a smaller temperature difference between the reactor and heating wall. A comparison with the thermodynamic equilibrium model reveals that the effect of pressure on chemical equilibrium may be more significant than the temperature. © 2024, The Authors. All rights reserved.

关键词： Temperature distribution

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