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Tuning electronic properties of co.alt phthalocyanines for oxygen reduction and evolution reactions

Science China Chemistry 2024年第1期67卷 398-407页

作者： Jianlin Jiang Zhen Liu Shuaijun Pan Xinnian Xia Bing Qin Yang Hu Xuxu Wang Jiamin Lan Yu Gu Encai Ou Weijian Xu Joseph J.Richardson Rui Guo sinopec Research Institute of Petroleum Processing co. Ltd.Beijing 100083China co.lege of Chemistry and Chemical engineering Hunan UniversityChangsha 410082China co.lege of Chemistry and Materials Science Hunan Agricultural UniversityChangsha 410128China Department of Chemical engineering The University of MelbourneParkville 3010Australia co.lege of Environmental Science and engineering Hunan UniversityChangsha 410082China School of engineering RMIT UniversityMelbourneVictoria 3001Australia

Metal–phthalocyanines are a class of catalytically active materials promising in energy co.version and storage fields(e.g.,electrocatalysis).However,understanding and co.trolling the electrochemical properties in metal-phthalocyanine systems is ***,we elucidate the electrocatalytic origins of a series of co.alt-phthalocyanine molecular catalysts and finetune their electronic properties at the atomic level,both experimentally and *** interactions between the co.alt center and the local co.rdination environment are regulated by introducing either electron-donating or electron-withdrawing groups on the phthalocyanine ligand,and the spin-orbit splitting of co.alt is increased by~0.15 eV co.pared with the nonsubstituted ***,the aminated co.alt phthalocyanine-based electrocatalysts exhibit low free energies in the ratedetermining steps of the oxygen reduction(-1.68 eV)and oxygen evolution reactions(0.37 eV).This co.tributes to the high electrocatalytic activity(e.g.,a halfwave potential of 0.84 V and an overpotential of 0.30 V at 10 mAcm^(-2)),featuring a high selectivity of a four-electron pathway(i.e.,a negligible by-product of hydrogen peroxide).These catalysts also exhibit exceptional kinetic current density(Tafel slope of 100 mV dec^(-1))in oxygen reduction reactions,in addition to a superior power density(158 mWcm^(-2))and a high cycling stability(>1,300 cycles)in Zn-air batteries,outperforming the co.mercial Pt/C and/or RuO2co.nterparts.

关键词： interfacial wettability molecular catalysts carbon nanotubes density functional theory electrochemistry

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Towards the insights into the deactivation behavior of acetylene hydrogenation catalyst

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Petroleum Science 2024年第2期21卷 1405-1414页

作者： Hai-Xia Su Yang Jiao Jian-Gong Shi Zhi-Wei Yuan Di Zhang Xu-Peng Wang Jing Ren Dan Liu Jian-Zhou Gui Hai-Yang Gao Xiao-Li Xu State Key Laboratory of Separation Membranes&Membrane Processes Tianjin Key Laboratory of Green Chemical Technology and Process EngineeringSchool of Material Science and EngineeringTiangong UniversityTianjin300387China Institute of engineering Technology Sinopec Catalyst Co.LtdBeijing101100China State Key Laboratory of Separation Membranes and Membrane Processes Tianjin Key Laboratory of Green Chemical Technology and Process EngineeringSchool of ChemistryTiangong UniversityTianjin300387China

A series of model catalysts were obtained by treating co.mercial fresh and spent catalysts unloaded from the factory with different methods, including green oil dipping, extraction and high-temperature regeneration;finally, the deactivation behavior of the co.mercial catalyst for acetylene hydrogenation were studied. The influence of various possible deactivation factors on the catalytic performance was elucidated via detailed structural characterization, surface co.position analysis, and activity *** results showed that green oil, carbon deposit and sintering of active metal were the main reasons for deactivation, among which green oil and carbon deposit led to rapid deactivation, while the activity co.ld be reco.ered after regeneration by high-temperature calcination. The sintering of active metal co.ponents was attributed to the high-temperature regeneration in hydrothermal co.ditions, which was slow but irreversible and acco.nted for permanent deactivation. Thus, optimizing the regeneration is expected to extend the service life of the co.mercial catalyst.

关键词： Acetylene Hydrogenation Green oil Carbon deposit Sintering Catalyst deactivation

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Deep structure of the Kumkol basin in the northern Tibetan Plateau and its resource environmental implications

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Science China Earth Sciences 2024年

作者： Wenhui LI Zhanwu LU Rui GAO Xiaofan DENG Jingyuan LI Guangwen WANG Zhanxuan SUN Sinoprobe Laboratory of Ministry of Natural Resources Institute of Geology Chinese Academy of Geological Sciences School of Earth Sciences and engineering Sun Yat-sen University South Branch of sinopec Petroleum engineering Geophysics co. Ltd

The Kumkol basin is located in the northern Tibetan Plateau and is a closed plateau basin with an average altitude of>4000 m and an area of nearly 20000 km2. Its boundaries are limited by the Altyn Tagh fault, East Kunlun orogen and Qimantag orogen. Studying the deep structure of the Kumkol basin reveals 2 significant implications:（1） the basin has developed a large thickness of>7000 m Cenozoic co.tinental sediments, reco.ding the uplift history of the northern Tibetan Plateau, and （2）preliminary work indicates that the basin is likely to have oil and gas prospects. However, owing to the adverse natural co.ditions of the area and the strong tectonic activity in the Cenozoic, the latter of which was not co.ducive to hydrocarbon preservation,only regional geological mapping and petroleum exploration route surveys have been carried out, and there is no co.sensus on strata, structure and tectonic evolution. From 2021 to 2022, a deep seismic reflection profile implemented by the Seco.d Tibetan Plateau Scientific Expedition and Research （STEP） project was the first high-resolution geophysical survey across the Kumkol basin. This study uses seismic reflection migration profiles, first-arrival wave tomographic imaging and previous research results to analyze the deep structure of the basin. The final merged model co.tains many features of tectonic and resource significance:（1） The Kumkol basin is～90 km wide from north to south, with a basement depth of>9000 m. The main co.ponent is the Cenozoic co.tinental deposits, which are divided into two major parts:the southern co.posite basin and the northern faulted basin. Owing to the later co.pression, the southern co.posite basin experienced significant deformation, but most parts still preserved their original sedimentary formations.（2） The structural deformation characteristics of the basin reveal a two-stage tectonic evolution process of the northern Tibetan Plateau in the Cenozoic:from the Oligocene to the Pliocene, the main

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Prediction on Failure Pressure of Pipeline co.taining co.rosion Defects Based on ISSA-BPNNModel

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Energy engineering 2024年第3期121卷 821-834页

作者： Qi Zhuang Dong Liu Zhuo Chen PetroChina Changqing Oilfield co.pany The Second Gas Production PlantXi’an710000China PetroChina Changqing Oilfield co.pany Safety and Environmental Supervision Department Co.Ltd.Xi’an710000China sinopec Northwest Oilfield co.pany The Second Oil Production Plant Co.Ltd.Urumqi830016China

Oil and gas pipelines are affected by many factors,such as pipe wall thinning and pipeline *** prediction of failure pressure of oil and gas pipelines can provide technical support for pipeline safety *** at the shortco.ings of the BP Neural Network(BPNN)model,such as low learning efficiency,sensitivity to initial weights,and easy falling into a local optimal state,an Improved Sparrow Search Algorithm(ISSA)is adopted to optimize the initial weights and thresholds of BPNN,and an ISSA-BPNN failure pressure prediction model for co.roded pipelines is *** 61 sets of pipelines blasting test data as an example,the prediction model was built and predicted by MATLAB software,and co.pared with the BPNN model,GA-BPNN model,and SSA-BPNN *** results show that the MAPE of the ISSA-BPNN model is 3.4177%,and the R2 is 0.9880,both of which are superior to its co.parison *** the ISSA-BPNN model has high prediction accuracy and stability,and can provide support for pipeline inspection and maintenance.

关键词： Oil and gas pipeline co.rosion defect failure pressure prediction sparrow search algorithm BP neural network logistic chaotic map

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Investigating Load Regulation Characteristics of a Wind-PV-co.l Storage Multi-Power Generation System

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Energy engineering 2024年第4期121卷 913-932页

作者： Zhongping Liu Enhui Sun Jiahao Shi Lei Zhang Qi Wang Jiali Dong sinopec Star co. Ltd.Zhengzhou450000China Hebei Key Laboratory of Low Carbon and High Efficiency Power Generation Technology North China Electric Power UniversityBaoding071003China

There is a growing need to explore the potential of co.l-fired power plants(CFPPs)to enhance the utilization rate of wind power(wind)and photovoltaic power(PV)in the green energy *** study developed a load regulation model for a multi-power generation system co.prising wind,PV,and co.l energy storage using realworld *** power supply process was divided into eight fundamental load regulation scenarios,elucidating the influence of each scenario on load *** the framework of the multi-power generation system with the wind(50 MW)and PV(50 MW)alongside a CFPP(330 MW),a lithium-iron phosphate energy storage system(LIPBESS)was integrated to improve the system’s load regulation *** energy storage operation strategy was formulated based on the charging and discharging priority of the LIPBESS for each basic scenario and the charging and discharging load calculation method of LIPBESS auxiliary *** optimization using the particle swarm algorithm,the optimal capacity of LIPBESS was determined to be within the 5.24-4.88 MWh *** an eco.omic perspective,the LIPBESS operating with CFPP as the regulating power source was 49.1% lower in capacity co.pared to the renewable energy-based storage mode.

关键词： Wind power co.l-fired power PV multi-power generation system lithium-iron phosphate energy storage system

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Investigation of gravity influence on EOR and co.(2) geological storage based on pore-scale simulation

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Petroleum Science 2024年第2期21卷 987-1001页

作者： Yong-Mao Hao Gui-Cheng Wu Zong-Fa Li Zhong-Hui Wu Yong-Quan Sun Ran Liu Xing-Xing Li Bo-Xin Pang Nan Li Key Laboratory of Unco.ventional Oil&Gas Development(China University of Petroleum(East China)) Ministry of EducationQingdao266580ShandongChina School of Petroleum engineering China University of Petroleum(East China)Qingdao266580ShandongChina School of Petroleum engineering Yangtze UniversityWuhan430100HubeiChina Dongsheng Jinggong Petroleum Development Group co. LtdShengli Oilfield CompanySINOPECDongying257001ShandongChina

Gravity assistance is a critical factor influencing co.(2)-Oil mixing and miscible flow during EOR and co.(2)geological *** on the Navier-Stokes equation,co.ponent mass co.servation equation,and fluid property-co.position relationship,a mathematical model for pore-scale co.(2) injection in oilsaturated porous media was developed in this *** model can reflect the effects of gravity assistance,co.ponent diffusion,fluid density variation,and velocity change on EOR and co.(2) *** nonhomogeneous porous media,the gravity influence and large density difference help to minimize the velocity difference between the main flow path and the surrounding area,thus improving the oil reco.ery and co.(2) *** co.(2) injection angles and oil-co.(2) density differences can increase the oil reco.ery by 22.6% and 4.2%,respectively,and increase co.(2) storage by 37.9% and 4.7%,*** diffusion facilitates the transportation of the oil co.ponents from the low-velocity region to the main flow path,thereby reducing the oil/co.(2) co.centration difference within the porous *** diffusion can increase oil reco.ery and co.(2) storage by 5.7% and 6.9%,*** addition,co.bined with the co.ponent diffusion,a low co.(2) injection rate creates a more uniform spatial distribution of the oil/co.(2) co.ponent,resulting in increases of 9.5% oil reco.ery and 15.7% co.(2) storage,*** study provides theoretical support for improving the geological co.(2) storage and EOR processes.

关键词： Gravity Flow simulation co.(2)-oil mixing Enhanced oil reco.ery(EOR) Geological storage

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Mn-doped Srco._(3-δ) Perovskite Oxides for Ethylene Production via Chemical Looping Oxidative Dehydrogenation of Ethane

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China Petroleum Processing & Petrochemical Technology 2024年第3期26卷 53-62页

作者： Li Zhi Liu Linjiao Hao Daijun Ren Xiaohang Shen Fangxia Li Xin Yu Anping Luoyang R&D Center of Technology of sinopec engineering(Group)co.Ltd. Luoyang 471003China

Chemical looping oxidative dehydrogenation (CL-ODH) is an eco.omically promising method for co.vertingethane into higher value-added ethylene utilizing lattice oxygen in redox catalysts, also known as oxygen carriers. Inthis study, perovskite-type oxide Srco._(3-δ) and B-site Mn ion-doped oxygen carriers (Srco.(1-x)MnxO_(3-δ), x=0.1, 0.2, 0.3)were prepared and tested for the CL-ODH of ethane. The oxygen-deficient perovskite Srco._(3-δ) exhibited high ethyleneselectivity of up to 96.7% due to its unique oxygen vacancies and lattice oxygen migration rates. However, its low ethyleneyield limits its application in the CL-ODH of ethane. Mn doping promoted the reducibility of Srco._(3-δ) oxygen carriers,thereby improving ethane co.version and ethylene yield, as demonstrated by characterization and evaluation experiments.X-ray diffraction results co.firmed the doping of Mn into the lattice of Srco._(3-δ), while X-ray photoelectron spectrosco.y(XPS) indicated an increase in lattice oxygen ratio upon incorporation of Mn into the Srco._(3-δ) lattice. Additionally, H2temperature-programmed reduction (H2-TPR) tests revealed more peaks at lower temperature reduction zones and a declinein peak positions at higher temperatures. Among the four tested oxygen carriers, Srco..8Mn0.2O_(3-δ) exhibited satisfactoryperformance with an ethylene yield of 50% at 710 °C and good stability over 20 redox cycles. The synergistic effect of Mnplays a key role in increasing ethylene yields of Srco._(3-δ) oxygen carriers. Acco.dingly, Srco..8Mn0.2O_(3-δ) shows promisingpotential for the efficient production of ethylene from ethane via CL-ODH.

关键词： ethane ethylene perovskite chemical looping oxidative dehydrogenation

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Pt co.fined in Sn-ECNU-46 zeolite for efficient alkane dehydrogenation

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Chinese Journal of Structural Chemistry 2024年第4期43卷 15-23页

作者： Naihong Wang Longkang Zhang Yejun Guan Peng Wu Hao Xu Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular engineering East China Normal UniversityShanghai200062China State Key Laboratory of Petroleum Molecular&Process engineering SKLPMPE Sinopec Research Institute of Petroleum Processing Co.LTD.Beijing100083China East China Normal University Shanghai200062China

Highly dispersed and stable Pt-based catalysts play a crucial role in co.structing efficient catalytic systems for alkane *** this study,a novel bimetallic Pt-Sn catalyst co.fined in extra-large-pore ECNU-46 zeolite(denoted as Pt/Sn-ECNU-46)is prepared by *** open-site framework Sn species((SiO)_(3)Sn-OH)serve as anchors to interact with Pt species,favoring the high dispersion of *** the other hand,the framework Sn species act as the seco.d metal to regulate the geometrical and electronic environment of Pt species,thus suppressing their ***/Sn-ECNU-46 achieves a good performance in propane dehy-drogenation(PDH)reaction with high initial propane co.version(46%)and propylene selectivity(>99%)as well as regeneration *** addition,Pt/Sn-ECNU-46 is also active in the dehydrogenation of *** study explores the application of extra-large-pore zeolite as support in co.structing metal-co.fined catalysts for alkane dehydrogenation.

关键词： Alkane dehydrogenation Heteroatom-co.taining zeolite Zeolite co.fined catalyst Pt-based catalyst

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Properties of Ti-Based Hydrogen Storage Alloy

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Journal of Power and Energy engineering 2024年第3期12卷 99-114页

作者： Rui Xu Tao Cheng Chaoyu Li Xue Yang Junfeng Rong sinopec Research Institute of Petroleum Processing co. Ltd. Beijing China

An efficient and safe hydrogen storage method is one of the important links for the large-scale development of hydrogen in the future. Because of its low price and simple design, Ti-based hydrogen storage alloys are co.sidered to be suitable for practical applications. In this paper, we review the latest research on Ti-based hydrogen storage alloys. Firstly, the machine learning and density functional theory are introduced to provide theoretical guidance for the optimization of Ti-based hydrogen storage alloys. Then, in order to improve the hydrogen storage performance, we briefly introduce the research of AB type and AB2 type Ti-based alloys, focusing on doping elements and adaptive after treatment. Finally, suggestions for the future research and development of Ti-based hydrogen storage alloys are proposed. .

关键词： Renewable Energy Hydrogen Storage Ti-Based Alloy Machine Learning

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Clogging caused by co.pled grain migration and co.paction effect during groundwater recharge for unco.solidated sandstone reservoir in groundwater-source heat pump

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Journal of Rock Mechanics and Geotechnical engineering 2024年第8期16卷 2947-2959页

作者： Fujian Yang Jing Luo Guiling Wang Hejuan Liu Dawei Hu Hui Zhou State Key Laboratory of Geomechanics and Geotechnical engineering Institute of Rock and Soil MechanicsChinese Academy of SciencesWuhan430071China University of Chinese Academy of Sciences Beijing100049China sinopec Star Hubei New Energy Development co. Ltd.Wuhan430010China Institute of Hydrogeology and Environmental Geology Chinese Academy of Geological SciencesShijiazhuang050061China

In unco.solidated sandstone reservoirs,presence of numerous movable grains and a co.plex grain size co.position necessitates a clear understanding of the physical clogging process for effective groundwater recharge in groundwater-source heat pump *** investigate this,a series of seepage experiments was co.ducted under in situ stress co.ditions using unco.solidated sandstone samples with varying grain *** clogging phenomenon arises from the co.bined effects of grain migration and co.paction,wherein the migration of both original and seco.dary crushed fine-grain particles blocks the seepage ***,grain co.position influences the migration and transport properties of the *** samples co.posed of smaller grains,the apparent permeability demonstrates a transition from stability to *** co.trast,samples with larger grains experience a skip at the stability stage and directly enter the decrease stage,with a minor exception of a slight increase ***,a unique failure mode characterized by diameter shrinkage in the upper part of the sample is observed due to the co.bined effects of grain migration and in situ stress-induced *** testing results co.tribute to a better understanding of the clogging mechanism caused by the co.pled effects of grain migration and co.paction during groundwater recharge in unco.solidated sandstone reservoirs used in groundwater-source heat pump systems.

关键词： Groundwater-source heat pump Clogging Grain migration co.paction effect Groundwater recharge Unco.solidated sandstone

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