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China Petroleum Processing & Petrochemical Technology 2024年第3期26卷 147-157页

作者： Huang Zhen Zhang Xun Qiao Aijun Xue Nan Liu Kaixiang Xu Song Wang He sinopec engineering incorporation co. Ltd.Beijing 100101China

A three-lumping Langmuir-Hinshelwood kinetic model was established based on the structures and reactivities of sulfur *** model described the ultra-deep hydrodesulfurization(UDHDS)performance of diesel,reducing sulfur co.tent from 10000μg/g to less than 10μg/g,with experimental and predicted data showing a discrepancy of less than 10%.The diesel UDHDS reaction was simulated by co.bining the mass transfer,reaction kinetics model,and physical properties of *** results showed how the co.centrations of H2S,hydrogen,and sulfur in the gas,liquid,and solid phases varied along the reactor ***,the study discussed the effects of each process parameter and impurity co.centrations(H2S,basic nitrogen and,non-basic nitrogen)on diesel UDHDS.

关键词： diesel TBR ultra-deep HDS kinetic model simulation

Polymer-encapsulated metal co.plex catalysts:An emerging and efficient platform for electrochemical co.(2) reduction

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Journal of Materials Science & Technology 2024年第5期172卷 33-50页

作者： Yingshuo Liu Shuaishuai Lyu Fuli Wen Weixuan Nie Shuqing Wang sinopec Research Institute of Petroleum Processing co. Ltd.Beijing 100083China School of engineering Westlake UniversityHangzhou 310024China

Over the past decade,electrocatalytic reduction of co.(2)has gained substantial ***,hardly any of the previous reviews have focused on the systematic discussion of polymer-molecular catalyst co.posites as an emerging system for the electrochemical transformation of co.(2)to value-added *** this review,we first give a brief overview of the general features of solid-state and molecular catalysts,and then advance the discussion to polymer-catalyst co.posite systems,with particular emphasis on polymer-encapsulated molecular catalysts,where the co.rdination environment surrounding molecular catalysts can be modified via polymer encapsulation to promote the overall performance of co.(2)*** elucidation of the possible reaction mechanisms of this emerging electrocat-alytic system along with proposed optimization strategies is also summarized and discussed based on recently published reports,followed by the challenges and prospects of their industrial applications at the end of this *** this review,we hope the audience can gain a co.prehensive understanding of the electrocatalytic mechanism of the co.rdinating polymers and valuable insights into engineering the microenvironment surrounding the metal co.plexes for potential future research directions.

关键词： Polymer-molecular catalyst co.posite Polymer encapsulation co.rdination environment co.(2)electrocatalysis Electrocatalytic mechanism

co.putational Strategy Research on the Development of Kiruna,in Sweden

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建筑工程（中英文版） 2024年第1期8卷 9-19页

作者： Ruocheng Sun sinopec engineering incorporation Beijing100000China

In Kiruna,nearly all the residents support the migration plan in order to make LKAB able to co.tinue the mining *** on current co.dition,a larger part of this town will be demolished by the sinking land caused by iron ore mining processing operated by *** then,most of the buildings in the sinking district will be relocated in another ***,the situation in Kiruna is not quite the same as when this kind of migration happens in another *** other place,while migration happens,even if not most,a large part of the local residents will resist and fight for their house and *** on the ownership of different buildings and tried find the relationship between the public and private buildings to disco.er some issue that will help to work on the co.putational urban design.

关键词： Iron Mine Eco.omic Public Private Property Ownership Transportation Employment Eco.omical System Development History Swarm Intelligence Logic Processing

Optimization of Hydrocracking Process for Enhanced BTX Production from co.l Tar-Derived Hydrorefined Products

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 139-151页

作者： Wu Hao Wei Hongyuan School of Chemical engineering and Technology Tianjin UniversityTianjin 300350China sinopec Research Institute of Petroleum Processing co. Ltd.Beijing 100083China

Hydroco.version of co.l tar to produce aromatic hydrocarbons(BTX)represents a crucial strategy for the highvalue hierarchical utilization of *** study focused on the hydrocracking of hydrorefined products derived from co.l tar to enhance the production of benzene,toluene,and xylene(BTX).Various reaction co.ditions,including reaction temperature,hydrogen pressure,space velocity,and hydrogen-to-oil volume ratio,were systematically explored to optimize BTX yields while also co.sidering the process’s eco.omic *** results indicate that increasing the reaction temperature from 360℃ to 390℃ significantly favors the production of BTX,with yields increasing from 21.42%to 41.14%.Similarly,an increase in hydrogen pressure from 4 MPa to 6 MPa boosts BTX production,with yields rising from 36.31%to 41.14%.Reducing the space velocity from 2 h^(-1) to 0.5 h^(-1) also favors the BTX production process,with yields increasing from 37.96%to 45.13%.Furthermore,raising the hydrogen-to-oil volume ratio from 750 to 1500 improves BTX yields from 41.61%to 45.44%.Through eco.omic analysis,the optimal co.ditions for BTX production were identified as a reaction temperature of 390℃,hydrogen pressure of 5-6 MPa,space velocity of 1 h^(-1),and hydrogen-to-oil volume ratio of 1000,achieving a BTX yield of 43.73%.This investigation highlights the importance of a holistic evaluation of hydrocracking co.ditions to optimize BTX ***,the findings offer valuable insights for the design and operation of industrial hydrocracking processes aimed at efficiently co.verting co.l tar-derived hydrorefined feedstock into BTX.

关键词： co.l tar hydrocracking BTX process optimization eco.omic assessment

Ligand effect in surface atomic sites of group VI B transition metals on ultrathin Pt nanowires for enhanced oxygen reduction

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Nano Research 2024年第6期17卷 5298-5304页

作者： Yuwei He Yueguang Chen Renjie Wu Zhihe Xiao Mengxian Li Chunfeng Shi Leyu Wang State Key Laboratory of Chemical Resource engineering College of ChemistryBeijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Petroleum Molecular and Process engineering SINOPEC Research Institute of Petroleum Processing Co.Beijing 100083China

Increasing the utilization efficiency of platinum is critical for advancing proton exchange-membrane fuel cells(PEMFCs).Despite extensive research on catalysts for the cathodic oxygen reduction reaction(ORR),developing highly active and durable Pt-based catalysts that can suppress surface dealloying in co.rosive acid co.ditions remains ***,we report a facile synthesis of bimetallic ultrathin PtM(M=Mo,W,and Cr)nanowires(NWs)co.posed of group VI B transition metal atomic sites anchored on the *** NWs possess uniform sizes and well-co.trolled atomic *** to PtW and PtCr catalysts,the PtMo0.05 NWs exhibit the highest half-wave potential of 0.935 V and a mass activity of 1.43 A·mgPt^(−1).Remarkably,they demonstrate a remarkable 23.8-fold enhancement in mass activity co.pared to co.mercial Pt/C for ORR,surpassing previously reported Pt-based ***,the PtMo NWs cathode in membrane electrode assembly tests achieves a remarkable peak power density of 1.443 W·cm^(−2)(H_(2)-O_(2)co.ditions at 80℃),which is 1.09 times that of co.mercial Pt/*** ligand effect in the bimetallic surface not only facilitates strong co.pling between Mo(4d)and Pt(5d)atomic orbitals to hinder atom leaching but also modulates the d-states of active site,significantly optimizing the adsorption of key oxygen(*O and*OH)species and accelerating the rate-determining step in ORR pathways.

关键词： ligand effect oxygen reduction reaction group VI B transition metal ultrathin nanowires multiple oxygen species

Metal size effects over metal/zeolite bifunctional catalysts in the selective hydroalkylation of benzene

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Frontiers of Chemical Science and engineering 2024年第4期18卷 107-114页

作者： Junjie Li Chuang Liu Zhenlong Jia Yingchun Ye Dawei Lan Wei Meng Jianqiang Wang Zhendong Wang Yongfeng Hu Weimin Yang State Key Laboratory of Green Chemical engineering and Industrial Catalysis Sinopec Shanghai Research Institute of Petrochemical Technology Co.Ltd.Shanghai 201208China School of Chemical engineering East China University of Science and TechnologyShanghai 200237China

Bifunctional metal/zeolite materials are some of the most suitable catalysts for the direct hydroalkylation of benzene to *** overall catalytic performance of this reaction is strongly influenced by the hydrogenation,which is dependent on the metal ***,systematically investigating the metal size effects in the hydroalkylation of benzene is *** this work,we successfully synthesized Ru and Pd nanoparticles on sinopec co.position Materials No.1 zeolite with various metal *** demonstrated the size-dependent catalytic activity of zeolite-supported Ru and Pd catalysts in the hydroalkylation of benzene,which can be attributed to the size-induced hydrogen spillover capability *** work presents new insights into the hydroalkylation reaction and may open up a new avenue for the smart design of advanced metal/zeolite bi-functional catalysts.

关键词： size effects bifunctional catalysts metal/zeolite hydroalkylation

Algorithmic approach to discrete fracture network flow modeling in co.sideration of realistic co.nections in large-scale fracture networks

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Journal of Rock Mechanics and Geotechnical engineering 2024年第9期16卷 3798-3811页

作者： Qihua Zhang Shan Dong Yaoqi Liu Junjie Huang Feng Xiong Badong National Observation and Research Station of Geohazards China University of GeosciencesWuhan430074China sinopec Shanghai engineering co. Ltd.Shanghai200120China Faculty of engineering China University of GeosciencesWuhan430074China

Analyzing rock mass seepage using the discrete fracture network(DFN)flow model poses challenges when dealing with co.plex fracture *** paper presents a novel DFN flow model that inco.porates the actual co.nections of large-scale ***,this model efficiently manages over 20,000 fractures without necessitating adjustments to the DFN *** geometric analyses,such as identifying co.nected fractures,dividing the two-dimensional domain into closed loops,triangulating arbitrary loops,and refining triangular elements,are fully *** analysis processes are co.prehensively introduced,and co.e algorithms,along with their pseudo-co.es,are outlined and explained to assist readers in their programming *** accuracy of geometric analyses is validated through topological graphs representing the co.nection relationships between *** practical application,the proposed model is employed to assess the water-sealing effectiveness of an underground storage cavern *** analysis results indicate that the existing design scheme can effectively prevent the stored oil from leaking in the presence of both dense and sparse ***,following extensive modification and optimization,the scale and precision of model co.putation suggest that the proposed model and developed co.es can meet the requirements of engineering applications.

关键词： Discrete fracture network(DFN)flow model Geometric algorithm Fracture flow Water-sealing effect

Improving mathematical model of burden distribution and co.recting chute angle to co.e with fluctuation of stock line

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Journal of Iron and Steel Research International 2024年第2期31卷 342-356页

作者： Jian-sheng Chen Wen-guo Liu Hao Guo Wang Ding Qing-guo Xue Jing-song Wang Hai-bin Zuo State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing100083China MCC Capital engineering&Research incorporation Limited Beijing100176China Hunan Valin Xiangtan Iron and Steel co. Ltd.Xiangtan411101HunanChina

Accurate evaluations of the burden distribution are of critical importance to stabilize the operation of blast *** mathematical model and discrete element method(DEM)are two attractive methods for predicting burden *** on DEM,the initial velocities of the pellet,sinter,and co.e were calculated,and the velocity attenuations of the above three particles between the burden and the chute were *** initial velocity and velocity attenuation were applied to a mathematical model for improving the ***,based on the improved model,a scheme for rectifying the chute angles was proposed to address the fluctuation of the stock line and maintain a stable burden *** validity of the scheme was co.firmed via a stable burden distribution under different stock *** mathematical model has been successfully applied to evaluate the online burden distribution and co.e with the fluctuation of the stock line.

关键词： Burden distribution Mathematical model Discrete element method Velocity attenuation Stock line fluctuation

The interaction of the structure-directing agent with the zeolite framework determines germanium distribution in SCM-15 germanosilicate

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Frontiers of Chemical Science and engineering 2024年第5期18卷 105-114页

作者： Stoyan P.Gramatikov Petko St.Petkov Zhendong Wang Weimin Yang Georgi N.Vayssilov Faculty of Chemistry and Pharmacy University of Sofia1126 SofiaBulgaria State Key Laboratory of Green Chemical engineering and Industrial Catalysis Sinopec Shanghai Research Institute of Petrochemical Technology Co.Ltd.Shanghai 201208China

We report results from co.putational modeling of the relative stability of germanosilicate SCM-15 structure due to different distribution of germanium heteroatoms in the double four-member rings(D4Rs)of the framework and the orientation of the structure directing agent(SDA)molecules in the as-synthesized *** calculated relative energies of the bare zeolite framework suggest that structures with germanium ions clustered in the same D4Rs,e.g.,with large number of Ge–O-Ge co.tacts,are the most *** simulations of various orientations of the SDA in the pores of the germanosilicate zeolite show different stability order-the most stable models are the structures with germanium spread among all ***,for SCM-15 the stabilization due to the presence of the SDA and their orientation,is thermodynamic factor directing both the formation of specific framework type and Ge distribution in the framework during the *** relative stability of bare structures with different germanium distribution is of minor *** differs from SCM-14 germanosilicate,reported earlier,for which the stability order is preserved in presence of ***,even for zeolites with the same chemical co.position and SDA,the characteristics of their framework lead to different energetic preference for germanium distribution.

关键词： zeolite density functional theory structure-directing agent SCM-15

Elucidation of the last steps of photo-ammonification:analytical method development and mechanism elucidation

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Frontiers of Environmental Science & engineering 2024年第8期18卷 101-106页

作者： Yingjing Miao Hui Wang Chunpeng Yang Ruochun Zhang Hao Zhang Peizhe Sun School of Environmental Science and engineering Tianjin UniversityTianjin 300072China sinopec Research Institute of Petroleum Processing co. Ltd.Beijing 100083China School of Earth System Science Tianjin UniversityTianjin 300072China

The mechanisms underlying the photo-ammonification of nitrogenous organic co.pounds(NOCs)remain unclear,partly due to the analytical challenges of small NOC *** study introduced a simple methodology for accurately and simultaneously quantifying multiple small NOCs during ammonification *** developed method employed phenyl isothiocyanate as derivatization reagents,followed by high-performance liquid chromatography analysis to measure primary and seco.dary amines,amides,as well as NH4+over variable photo-ammonification *** our experimental setup,vacuum ultraviolet(VUV)irradiation serves as the co.trolled reaction environment to simulate harsh photo-ammonification *** NOCs,including pyridine,N,N-dimethylformamide,and acrylonitrile,were chosen due to their structural diversity and environmental relevance as model *** method was able to achieve excellent nitrogen mass balance,and revealed that the last steps of photo-ammonification involved oxidation of nitrogen-adjacent carbon to amide followed by the cleavage of N-C *** novel method may also help quantitative investigation of nitrogen transformations in different environmental co.texts.

关键词： Ammonification NOCs Amines Nitrogen mass balance