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Carrier Dynamics and surface reaction Boosted by Polymer-based Single-atom Photocatalysts

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Chemical Research in Chinese Universities 2022年第5期38卷 1207-1218页

作者： TENG Zhenyuan YANG Hongbin ZHANG Qitao OHNO Teruhisa Department of Applied Chemistry Faculty of EngineeringKyushu Institute of TechnologyKitakyushu 804-8550Japan School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215009P.R.China International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale OptoelectronicsShenzhen UniversityShenzhen 518060P.R.China

Carrier dynamics and surface reaction are two critical processes for determining the performance of photocatalytic *** designable polymer-based photocatalysts have shown promising protectives in energetic and environmental *** this prospective,we first distinguished the differences of physiochemical properties between polymer-based semiconductors and traditional inorganic ***,the effects of single-atom sites on the charge dynamics and reaction kinetics of polymer-based photocatalysts are further ***(excitation)-space(wavefunction)population analysis,which can provide relevant information to clarify the structure-excitation relationships after introducing the single atom sites was also *** the future,with the further development of artificial intelligence,the establishment of an energy function with a regression accuracy close to or reaching the level of density functional theory is highly desired to infer the energetic diagram of the photocatalytic systems at the excited ***,coordination structures,interaction with inorganic semiconductors,photocatalytic stability and solvent effects should also be carefully considered in the future studies of polymer-based photocatalyst.

关键词： Carrier dynamics surface reaction Polymer Single-atom catalyst Dielectric property

surface reaction of TiAl with Water Vapor and Oxygen

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Journal of Materials Science & Technology 2003年第4期19卷 334-336页

作者： YexinCHEN XiaojingWAN WeixinXU InstituteofMaterials ShanghaiUniversityShanghai200072China ShanghaiIronandSteelResearchInstitute Shanghai200940China

The interaction of water vapor and oxygen with TiAI-based alloy has been studied with Auger electron spectroscopy and X-ray photoelectron spectroscopy. The results indicate that both surface reactions initiate at a very short exposure (about 6×10-7 Pa·s) and the oxides Al2O3 and TiO2 form in the surface reactions. In the oxidizing reaction, the water vapor reacts firstly with Al, and then reacts with Ti after certain exposure. The surface reaction of Al with water vapor may be responsible for the environmental embrittlement at room temperature in TiAI-based alloy.

关键词： surface reaction XPS TiAl alloy

surface reaction OF Ni_3Al WITH WATER VAPOROR OXYGEN

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Acta Metallurgica Sinica(English Letters) 1997年第4期10卷 363-368页

作者： YX. Chen X.J. Wan and W.X. Xu (Institute of Materials Sciences, Shanghai University, Shanghai 200072, China)(Shanghai Iron and Steel Research Institute, Shanghai 200940, China) Shanghai Univ Shanghai China

The kinetics of the surface reactions of single crystal Ni3Al and polycrystal line Ni3Al0.00052 wt% B with water vapor or oxygen was investigated using XPS. Both reactions initiate at less than 1.5×10-6 Pa.s exposure. The reaction of Ni3Al does not saturote with water vapor at 0.43 Pa.s; with oxygen at 8.4×10-2 Pa.s and the oxide formed is Al2O3. The kinetics of these reactions can be used to eaplain the different ductility behavior of Ni3Al-based alloys in various environment.

关键词： Ni_3Al surface reaction XPS hydrogen embrittlement

EFFECT OF Fe ON surface reaction OF Co_(3)Ti WITH WATER VAPOR

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中国有色金属学会会刊:英文版 1999年第S1期9卷 142-145页

作者： Y.X.Chen X.J.Wan W.X.Xu Shanghai University Shanghai 200072China Shanghai Iron and Steel Research Institute Shanghai 200940China

The surface reaction of Co 3Ti alloys (with and without Fe) with water vapor was investigated by using Auger electron spectroscopy (AES). The results showed that the rate of the surface reaction is much lower in Co 21 5Ti 3Fe alloy as compared with Co 3Ti (Co 23Ti) alloy. The surface reaction of Co 21 5Ti 3Fe alloy with water vapor saturates at exposure of 2×10 -3 Pa·s, but it does not saturate even at 0 1 Pa·s exposure for Co 3Ti alloy without Fe. The results also indicated that the kinetic of the surface reaction of Co 21 5Ti 3Fe with water vapor is much smaller than that of Co 3Ti at the same exposure. All the above results illustrate that the suppression of environmental embrittlement by addition of Fe to Co 3Ti alloy is attributed to its reduction of the surface reaction kinetics with water vapor.

关键词： Co_(3)Ti surface reaction water vapor Fe doping

Insight into the dynamics of non-Newtonian Carreau fluid when viscous dissipation,entropy generation,convective heating and diffusion are significant

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 34-46页

作者： ZHOU Shuang-shuang Muhammad Ijaz Khan Sami Ullah Khan Sumaira Qayyum School of Science Hunan City UniversityYiyang 413000China Department of Mechanical Engineering Prince Mohammad Bin Fahd UniversityP.O.Box1664Al-Khobar 31952Kingdom of Saudi Arabia Department of Mathematics Namal UniversityMianwali 42250Pakistan Department of Mathematics Quaid-I-Azam University 45320Islamabad 44000Pakistan

The investigation endorsed the convective flow of Carreau nanofluid over a stretched surface in presence of entropy generation *** novel dynamic of viscous dissipation is utilized to analyze the thermal mechanism of magnetized *** convective boundary assumptions are directed in order to examine the heat and mass transportation of *** thermal concept of thermophoresis and Brownian movements has been re-called with the help of Buongiorno *** problem formulated in dimensionless form is solved by NDSolve *** graphical analysis for parameters governed by the problem is performed with physical *** affiliation of entropy generation and Bejan number for different parameters is inspected in *** numerical data for illustrating skin friction,heat and mass transfer rate is also *** motion of the fluid is highest for the viscosity ratio *** temperature of the fluid rises via thermal Biot *** generation rises for greater Brinkman number and diffusion parameter.

关键词： heat generation surface reaction CNTs based nano uid stretching/shrinking sheet thermal radiation

Catalytic reaction Kinetics of Propylene Dimerization to 4-Methyl-1-Pentene Using Cu-K/K_(2)CO_(3) Solid Base Catalyst

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 78-87页

作者： Jin Haibo Chai Jing Yang Suohe He Guangxiang Ma Lei Guo Xiaoyan College of New Materials and Chemical Engineering Beijing Institute of Petrochemical Technology/Beijing Key Laboratory of Fuel Cleaning and Efficient Catalytic Emission Reduction TechnologyBeijing102617China

The catalysis technology of propylene dimerization to form 4-methyl-1-pentene(4MP1)using a Cu-K/K_(2)CO_(3) solid base catalyst is a well-known heterogeneous catalytic *** this study,the intrinsic kinetics of propylene dimerization were studied in a fixed-bed continuous *** and external diffusion during the dimerization reaction experiments were eliminated by adjusting the flow rate of the carrier gas and the particle size of the catalyst ***,the concentration changes of each substance at the outlet of the catalyst bed under different residence times were ***,the suitable reaction kinetics equations was derived using the Langmuir Hinshelwood-Hougen-Watson kinetic ***,the activation energy for each reaction involved in the dimerization reaction was *** activation energies of 4MP1,branched by-products,and 1-hexene were 115.0,150.8,and 177.4 kJ/mol,*** effect of process conditions on propylene dimerization with solid base catalysts was studied through kinetic model *** comparing the theoretical values obtained from the simulation with the experimental results,the applicability and accuracy of the kinetic model were verified.

关键词： propylene dimerization 4-methyl-1-pentene intrinsic kinetics surface reaction

Relativity of CO oxidation reaction and distribution of surface O on Pt(111) surfaces

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Progress in Natural Science:Materials International 1997年第1期7卷 108-111页

作者：许明德刘金尧 Beijing 100084 CA 92521 China Department of Chemistry Riverside State Key Laboratory of C1 Chemical Technology Tsinghua University USA University of California

Some surface catalytic reactions, have been widely investigated because of their importance in fundamental science and in industrial application. CO oxidation on Pt(111) surface has been proved to be one of the prototype surface catalytic reactions and to be of great importance in the treatment of automobile exhaust. As was well established, this reaction takes place between chemisorbed CO molecules and O atoms. The adsorbed O atoms dissociatively form islands on

关键词： surface reaction surface coverage unreacted oxygen.

Interactions between hydrocarbon-bearing fluids and calcite in fused silica capillary capsules and geological implications for deeply-buried hydrocarbon reservoirs

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Science China Earth Sciences 2022年第2期65卷 299-316页

作者： Zihao JIN Guanghui YUAN Yingchang CAO Keyu LIU Yanzhong WANG Jianye SUN Xiluo HAO Ling ZHOU Yihan WEI Shuqi WU School of Geosciences China University of PetroleumQingdao 266580China Laboratory for Marine Mineral Resources Qingdao National Laboratory for Marine Science and TechnologyQingdao 266071China Qingdao Institute of Marine Geology China Geological SurveyQingdao 266071China

During the burial processes of deep/ultra-deep hydrocarbon reservoirs,the interactions between hydrocarbon-bearing fluids and reservoirs significantly affect the quality evolution of hydrocarbons and reservoirs;thus,this topic requires further *** this study,the continuous evolution and the coupling mechanisms in various anhydrous and hydrous nC_(16)H_(34)-(water)-(calcite)systems in fused silica capillary capsules(FSCCs)were investigated using laser Raman spectroscopy,fluorescence color analysis,and fluorescence spectroscopy,and the mineral alterations were analyzed using scanning electron microscopy(SEM).The experimental results show that extensive organic-inorganic interactions occur in the systems if water is present,and different inorganic components have different effects on hydrocarbon *** water promotes freeradical thermal cracking and steps oxidation,forming more low-molecular-weight hydrocarbons,CO_(2),and organic acids(e.g.,acetic acids)but suppresses the free-radical cross-linking,generating less high-molecular-weight ***,in the presence of CaCl_(2) water,the yields of hydrocarbon gases are lower than in the distilled water system because high concentrations of Ca ions inhibit the generation of free ***,which exhibit different surface reactivities in different fluid conditions,affect hydrocarbon degradation in different *** the anhydrous nC16H34-calcite system,calcites promote the generation of both hydrocarbon gases and high-molecular-weight *** contrast,in the hydrous nC16H34-distilled(CaCl_(2))watercalcite system,calcites promote the generation of hydrocarbon gases and suppress the generation of high-molecular-weight *** also reacts with organic acids via surface reactions to form secondary ***,except for the formation temperature and pressure,organic-inorganic interactions are controlled by multiple factors,such as the water saturation,water typ

关键词： Hydrocarbon-bearing fluids Calcite Organic-inorganic interaction Fused silica capillary capsules surface reaction

Establishment of nucleation and growth model of silica nanostructured particles and comparison with experimental data

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Chinese Journal of Chemical Engineering 2022年第10期50卷 379-388页

作者： Yubai Liu Zhiyuan Yu Thomas Pelster Ting-Tai Lee Yujun Wang Guangsheng Luo State Key Lab of Chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Evonik Operations GmbH Brühler Straße 2Wesseling 50389Germany Evonik Specialty Chemicals(Shanghai)Co. Ltd.Shanghai 201108China

A mathematical model is developed for the calculation of the nucleation and growth process of silica nanostructured particles prepared by using the drop-by-drop method,and the calculation results of the proposed model is compared with the experimental value obtained from SAXS *** model provides a non-ideal improvement in the supersaturation calculation and considers the impact of both mass transfer and surface reaction on the particle growth *** nucleation and growth rates are coupled depending on the change in monomer concentration over time,based on which the particle size and distribution are *** growth curve of the silica particles from 3 nm to 20 nm and the change in particle number from 0 to over 10^(20) are calculated,which are consistent with the experimental values,establishing the reliability of the *** calculations of the growth rate reveal that mass transfer controls the growth of silica particles before 10 min and the surface reaction is the rate-determining step after 10 *** changes in the model parameters obtained by fitting with the SAXS data under different reaction conditions indicate the sensitivity of the corresponding process to different ***,the relationship between the particle growth rate and monomer concentration change is analyzed using the proposed model.

关键词： Silica Nucleation Growth Mathematical modeling Mass transfer surface reaction