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Extend ethylene aromatization single-event kinetic modeling with physical and chemical descriptor based on ZSM-5 catalyst

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Petroleum Science 2023年第6期20卷 3841-3853页

作者： Jia-Rong xie Fang jin School of Chemical Engineering and Pharmacy Wuhan Institute of TechnologyWuhan430205HubeiChina Key Laboratory for Green Chemical Process of Ministry of Education Wuhan Institute of TechnologyWuhan430205HubeiChina Novel Reactor&Green Chemical Technology Key Laboratory Wuhan Institute of TechnologyWuhan430205HubeiChina

The ethylene aromatization is critical for the methanol to aromatics and light alkane dehydroaromatization *** single-event microkinetic(SEMK)model combining the linear free energy theory and solid acid distribution concept were established and extend for the ethylene aromatization process,which can reduce the kinetic parameters and simplify the reaction network by comparison with the SEMK model including subtype elementary steps based on the type of carbenium *** introducing deactivation parametersφinto the model and applying the linear free energy model to the deactivation experimental data,the obtained deactivation parametersφindicate that the carbon deposition precursors have the greatest impact on reducing the reaction rate of single-molecular reactions and the smallest impact on the hydrogen transfer ***,according to the change of reaction enthalpy,effect of carbenium ion structure on methylation,ethylation,cyclization and endo-βscission was investigated by introducing linear free energy concept into the SEMK *** effect of different acid strengths on elementary steps was investigated based on the acid strength distribution model,it was found that the methylation and oligomerization reactions,the ali-βscission reaction,endo-βscission reaction and the cyclization reaction were more sensitive to strong acidity *** physisorption and chemisorption heat are separated from the protonation heat in the linear free energy kinetic model and the acid strength distribution kinetic model,and the absolute values of the obtained physisorption and chemisorption heat increase with the carbon number of carbenium ***,the parameters of the acid strength distribution kinetic model were applied to propane dehydroaromatization on H-ZSM-5 and the ethane dehydroaromatization on Zn/ZSM-5 to confirm the independence of parameters in the SEMK model with the similar reaction network.

关键词： Kinetic model Ethylene aromatization Acid strength distribution Linear free energy theory

Dissociative chemisorption dynamics of small molecules on metal surfaces

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Science China Chemistry 2014年第1期57卷 87-99页

作者： jiang Bin xie DaiQian Key Laboratory of Mesoscopic Chemistry of Ministry of Education Institute of Theoretical and Computational Chemistry School of Chemistry and Chemical Engineering Nanjing University Department of Chemistry and Chemical Biology University of New MexicoAlbuquerque New Mexico 87131 USA

Much progress has been achieved for both experimental and theoretical studies on the dissociative chemisorption of molecules on *** state-resolved experimental data has provided unprecedented details for these fundamental steps in heterogeneous catalysis,while the quantitative dynamics is still not fully understood in *** in-depth understanding of experimental observations relies on accurate dynamical calculations,in which the potential energy surface and adequate quantum mechanical implementation are *** article summarizes the current methodologies on the construction of potential energy surfaces and the quantum mechanical treatments,some of which are promising for future *** challenges in this field are also addressed.

关键词： dissociative chemisorption,potential energy surface,quantum dynamics,heterogeneous catalysis

Transcriptional proffling between yellow-and black-seeded Brassica napus reveals molecular modulations on flavonoid and fatty acid content

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Journal of Integrative Agriculture 2022年第8期21卷 2211-2226页

作者： RONG Hao YANG Wen-jing xie Tao WANG Yue WANG Xia-qin jiang jin-jin WANG You-ping jiangsu Provincial Key Laboratory of Crop Genetics and Physiology Yangzhou UniversityYangzhou 225009P.R.China Joint International Research Laboratory of Agriculture and Agri-Product Safety Ministry of Education of ChinaYangzhou UniversityYangzhou 225009P.R.China

Brassica napus is an important cash crop broadly grown for the vegetable and oil ***-seeded *** is preferred by breeders due to its improved oil and protein quality,less pigments and lignin compared with the blackseeded *** study compared the differences in flavonoid and fatty acid contents between yellow rapeseed from the progenies of ***-Sinapis alba somatic hybrids and the black-seeded counterpart using RNA-seq *** HPLC-PDA-ESI(-)/MSanalysis,it was found that phenylpropanoids and flavonoids(i.e.,isorhamnetin,epicatechin,kaempferol,and other derivatives)in yellow seed were significantly lower than those in black *** fatty acid(FA)content in yellow rapeseed was higher than that in black rapeseed due to the variation of C16:0,C18:0,C18:1,C18:2,and C18:3 ***-seq analysis of seeds at four and five weeks after flowering(WAF)indicated that differentially expressed genes(DEGs)between black and yellow rapeseeds were enriched in flavonoid and FA biosynthesis,including BnTT3,BnTT4,BnTT18,and ***,genes related to FA biosynthesis,desaturation and elongation(FAD3,LEC1,FUS3,and LPAT2)in yellow seed were up-regulated compared to those in black seed,while genes involved in beta-oxidation cycle(AIM1 and KAT2)of yellow seed were down-regulated compared to those in black *** DEGs related to the variation of flavonoids,phenylpropanoids,and FAs would help improve the knowledge of yellow seed character in *** and promote rapeseed improvement.

关键词： rapeseed gene expression analysis fatty acid composition phenolic content yellow seed

Li-rich layered oxides:Structure,capacity and voltage fading mechanisms and solving strategies

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Particuology 2022年第2期20卷 1-10页

作者： Yin xie Yongcheng jin Lan Xiang Department of Chemical Engineering Tsinghua UniversityBeijing 100084China School of Materials Science and Engineering Ocean University of ChinaQingdao 266100China Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of SciencesQingdao 266101China

Lithium rich layered oxides(LLOs)are attractive cathode materials for Li-ion batteries owing to their high capacity(>250 mA h g^(-1))and suitable voltage(∼3.6 V).However,they suffer from serious voltage and capacity fading,which is focused in this ***,an overview of crystal structure,band structure and electrochemical performances of LLOs is *** that,current understanding on oxygen loss,capacity fading and voltage fading is ***,five strategies to mitigate capacity and voltage fading are *** is believed that these understandings can help solve the fading problems of LLOs.

关键词： Lithium rich layered oxides Redox mechanisms Capacity fading Voltage fading Solving strategies Introduction

Fast nonnegative tensor ring decomposition based on the modulus method and low-rank approximation

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Science China(Technological Sciences) 2021年第9期64卷 1843-1853页

作者： YU YuYuan xie Kan YU jinShi jiang Qi xie ShengLi School of Automation Guangdong University of TechnologyGuangzhou 510006China Guangdong-Hong Kong-Macao Joint Laboratory for Smart Manufacturing Guangzhou 510006China Key Laboratory of Intelligent Detection and The Internet of Things in Manufacturing Ministry of EducationGuangzhou 510006China Guangdong Key Laboratory of IoT Information Technology Guangdong University of TechnologyGuangzhou 510006China

Nonnegative tensor ring(NTR) decomposition is a powerful tool for capturing the significant features of tensor objects while preserving the multi-linear structure of tensor data. The existing algorithms rely on frequent reshaping and permutation operations in the optimization process and use a shrinking step size or projection techniques to ensure core tensor nonnegativity, which leads to a slow convergence rate, especially for large-scale problems. In this paper, we first propose an NTR algorithm based on the modulus method(NTR-MM), which constrains core tensor nonnegativity by modulus transformation. Second, a low-rank approximation(LRA) is introduced to NTR-MM(named LRA-NTR-MM), which not only reduces the computational complexity of NTR-MM significantly but also suppresses the noise. The simulation results demonstrate that the proposed LRA-NTR-MM algorithm achieves higher computational efficiency than the state-of-the-art algorithms while preserving the effectiveness of feature extraction.

关键词： nonnegative tensor ring decomposition modulus method low-rank approximation

A transient fiuid–structure interaction analysis strategy and validation of a pressurized reactor with regard to loss-ofcoolant accidents

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Nuclear Science and Techniques 2020年第6期31卷 11-21页

作者： Ying-Chao Ma xie-Lin Zhao Xian-Hui Ye Nai-Bin jiang jin-Xiong Zhou State Key Laboratory for Strength and Vibration of Mechanical Structures School of AerospaceXi’an Jiaotong UniversityXi’an 710049China Key Laboratory of Nuclear Reactor System Design Technology Nuclear Power Institute of ChinaChengdu 610200China Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China

A loss-of-coolant accident(LOCA)is one of the basic design considerations for nuclear reactor safety analysis.A LOCA induces propagation of a depressurization wave in the coolant,exerting hydrodynamic forces on structures viafiuid–structure interaction(FSI).The analysis of hydrodynamic forces on the core structures during a LOCA process is *** describe the implementation of a numerical strategy for prestressed *** consists of an initialization and a restarted transient analysis process,all implemented via the ANSYS Workbench by system coupling of ANSYS and *** strategy is validated by making extensive comparisons of the pressures,displacements,and strains on various locations between the simulation and reported *** approach is appealing for dynamic analysis of other prestressed structures,owing to the good popularity and acknowledgement of ANSYS and Fluent in both academia and industry.

关键词： Loss-of-coolant accident(LOCA) Fluid–structure interaction(FSI) Finite element method Prestressed structure Structural dynamics

A Discrete Multi‑Objective Artificial Bee Colony Algorithm for a Real‑World Electronic Device Testing Machine Allocation Problem

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Chinese Journal of Mechanical Engineering 2022年第6期35卷 136-150页

作者： jin xie Xinyu Li Liang Gao State Key Laboratory of Digital Manufacturing Equipment and Technology Huazhong University of Science and TechnologyWuhan 430074China

With the continuous development of science and technology,electronic devices have begun to enter all aspects of human life,becoming increasingly closely related to human *** have higher quality requirements for electronic *** device testing has gradually become an irreplaceable engineering process in modern manufacturing enterprises to guarantee the quality of products while preventing inferior products from entering the *** the large output of electronic devices,improving the testing efficiency while reducing the testing cost has become an urgent problem to be *** study investigates the electronic device testing machine allocation problem(EDTMAP),aiming to improve the production of electronic devices and reduce the scheduling distance among testing machines through reasonable machine ***,a mathematical model was formulated for the EDTMAP to maximize both production and the scheduling distance among testing ***,we developed a discrete multi-objective artificial bee colony(DMOABC)algorithm to solve EDTMAP.A crossover operator and local search operator were designed to improve the exploration and exploitation of the algorithm,*** experiments were conducted to evaluate the performance of the proposed *** experimental results demonstrate the superiority of the proposed algorithm compared with the non-dominated sorting genetic algorithm II(NSGA-II)and strength Pareto evolutionary algorithm 2(SPEA2).Finally,the mathematical model and DMOABC algorithm were applied to a real-world factory that tests radio-frequency *** results verify that our method can significantly improve production and reduce the scheduling distance among testing machines.

关键词： Electronic device Machine allocation Multi-objective optimization Artificial bee colony algorithm

Identification of the elastic stiffness of composites using the virtual fields method and digital image correlation

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Acta Mechanica Sinica 2015年第2期31卷 173-180页

作者： Lebin jiang Baoqiao Guo Huimin xie Department of Engineering Mechanics Tsinghua University State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology

This paper presents an effective methodology for characterizing the mechanical parameters of composites using digital image correlation combined with the virtual fields *** using a three-point bending test configuration,this method can identify all mechanical parameters of the material with merely a single *** results verified that this method is especially effective for characterizing composite *** this study,the method is applied to measure the orthotropic elastic parameters of fiber-reinforced polymer-matrix composites before and after the hygrothermal aging *** results indicate that the hygrothermal aging environment significantly influences the mechanical property of a *** components of the parameters in the direction of the fiber bundle decreased *** the accuracy analysis,we found that the actual measurement accuracy is sensitive to a shift of the horizontal edges and rotation of the vertical edges.

关键词： DIC VFM Characterization Composite

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湖南杏枫山金矿地质特征及找矿方向

矿产勘查 2016年第6期7卷 958-964页

作者：李惠纯尹显石成晟鑫李启兴江灿蔡兰兰孙金辉蒋勰湖南省核工业地质局三〇四大队长沙410019 中国建筑材料工业地质勘查中心湖南总队株洲412000 古台山金矿新化417603

杏枫山金矿地处白马山—龙山东西向构造带与古台山—新宁近南北向构造带交汇处、金山背斜南西倾伏端北西翼,主要断裂构造为北西向断裂。马底驿组第三、第四岩性段的绢英千枚岩金的背景值很高,是金的赋矿层,亦是矿源层。圈出Ⅰ、Ⅱ、Ⅲ3... 详细信息

杏枫山金矿地处白马山—龙山东西向构造带与古台山—新宁近南北向构造带交汇处、金山背斜南西倾伏端北西翼,主要断裂构造为北西向断裂。马底驿组第三、第四岩性段的绢英千枚岩金的背景值很高,是金的赋矿层,亦是矿源层。圈出Ⅰ、Ⅱ、Ⅲ3个石英细脉带,其中Ⅱ号脉带为主矿脉带,Ⅱ号主矿脉带中1、2、4号脉含矿性较好,具较大工业价值。成矿热液来自岩浆岩,属高中温热液型金矿床。据对已知矿体的控制情况,明确提出了区内边深部找矿的具体思路。

关键词：湖南杏枫山金矿石英细脉带型高中温热液型找矿方向