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Mechanism analysis and simulation of methyl methacrylate production coupled chemical looping gasification system

Chinese Journal of Chemical Engineering 2021年第9期34卷 184-196页

作者： Wende Tian Haoran zhang zhe cui Xiude Hu College of Chemical Engineering Qingdao University of Science&TechnologyQingdao 266042China State Key Laboratory of High-efficiency Utilization of Coal and green Chemical Engineering Ningxia UniversityYinchuan 750000China

Nowadays,the efficient and cleaner utilization of coal have attracted wide attention due to the rich coal and rare oil/gas resources structure in *** chemical looping gasification(CCLg)is a promising coal utilization technology to achieve energy conservation and emission reduction targets for highly pure synthesis *** a downstream product of synthesis gas,methyl methacrylate(MMA),is widely used as raw material for synthesizing polymethyl methacrylate and resin products with excellent *** this paper proposes a novel system integrating MMA production and CCLg(CCLg-MMA)processes aiming at"energy saving and low emission",in which the synthesis gas produced by CCLg and purified by dry methane reforming(DMR)reaction and Rectisol process reacts with ethylene for synthesizing ***,the reaction mechanism of CCLg is investigated by using Reactive force field(ReaxFF)MD simulation based on atomic models of char and oxygen carrier(Fe_(2)O_(3))for obtaining optimum reaction temperature of fuel reactor(FR).Secondly,the steady-state simulation of CCLg-MMA system is carried out to verify the feasibility of MMA *** amount of CO_(2)emitted by CCLg process and DMR reaction is 0.0028(kg CO_(2))^(-1)·(kg MMA)^(-1).The total energy consumption of the CCLg-MMA system is 45521 kJ·(kg MMA)^(-1),among which the consumption of MMA production part is 25293 k(·kg MMA)^(-1).The results show that the CCLg-MMA system meets CO_(2)emission standard and has lower energy consumption compared to conventional MMA production ***,one control scheme is designed to verify the stability of CCLg-MMA *** CCLg-MMA integration strategy aims to obtain highly pure MMA from multi-scale simulation perspectives,so this is an optimal design regarding all factors influencing cleaner MMA production.

关键词： ReaxFF MD simulation CCLg-MMA system simulation Sensitivity analysis Plant wide control

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Microscopic mechanism study and process optimization of dimethyl carbonate production coupled biomass chemical looping gasification system

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Chinese Journal of Chemical Engineering 2023年第6期58卷 291-305页

作者： Wende Tian Jiawei zhang zhe cui Haoran zhang Bin Liu College of Chemical Engineering Qingdao University of Science&TechnologyQingdao 266042China

Biomass chemical looping gasification technology is one of the essential ways to utilize abundant biomass *** the same time,dimethyl carbonate can replace phosgene as an environmentfriendly organic material for the synthesis of *** this paper,a novel system coupling biomass chemical looping gasification with dimethyl carbonate synthesis with methanol as an intermediate is designed through microscopic mechanism analysis and process ***,reactive force field molecular dynamics simulation is performed to explore the reaction mechanism of biomass chemical looping gasification to determine the optimal gasification temperature ***,steady-state simulations of the process based on molecular dynamics simulation results are carried out to investigate the effects of temperature,steam to biomass ratio,and oxygen carrier to biomass ratio on the syngas yield and *** addition,the main energy indicators of biomass chemical looping gasification process including lower heating value and cold gas efficiency are analyzed based on the above optimum ***,two synthesis stages are simulated and optimized with the following results obtained:the optimal temperature and pressure of methanol synthesis stage are 150℃ and 4 MPa;the optimal temperature and pressure of dimethyl carbonate synthesis stage are 140℃ and 0.3 ***,the pre-separation-extraction-decantation process separates the mixture of dimethyl carbonate and methanol generated in the synthesis stage with 99.11%purity of dimethyl *** results verify the feasibility of producing dimethyl carbonate from the perspective of multi-scale simulation and realize the multi-level utilization of biomass resources.

关键词： Biomass chemical looping gasification Reactive force field molecular dynamics simulation Separation Multi-scale simulation

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Tearing Toughness of Ductile Metals

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Acta Metallurgica Sinica(English Letters) 2016年第2期29卷 150-155页

作者： cui-Hong Li Qi-Qiang Duan zhe-Feng zhang Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences

A new parameter, i.e., tearing toughness, was employed to characterize the mechanical properties of some ductile metals （Cu, Cu-2 wt% Be, Cu-Al alloys, and some steels） by using three-leg trousers tearing tests. The experi- mental results demonstrate that their tearing toughness is not a physical constant and shows a close relationship with the materials＇ types and microstructures. It can be inferred that the tearing toughness of different ductile metals has their respective variation range, expectantly, and may be represented by the comprehensive mechanical properties of strength and ductility for various ductile materials.

关键词： Ductile metals Strength Ductility Tearing toughness

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Crystallization Behavior and Thermal Properties of PP/MgAl LDH Nanocomposites Prepared in Non-polar Solution

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Chemical Research in Chinese Universities 2010年第1期26卷 152-156页

作者： cui zhe zhang guo-ying QU Bao-jun State Key Laboratory of Fire Science Department of Polymer Science and Engineering University of Science and Technology of China Hefei 230026 R R. China

Polypropylene（PP）/MgAl layered double hydroxide（MgAl LDH） nanocomposites were synthesized by refluxing PP and dodecyl sulfate-intercalated MgAI LDH[MgAI（DS）] in non-polar xylene. Their structure, thermal and crystallization properties were studied via X-ray diffraction（XRD）, transmission electron microscopy（TEM）, thermogravimetric analysis（TgA）, differential scanning calorimetry（DSC）, and polarized light microscopy（PLM）. The nanoscaled dispersion of MgAI（DS） nanolayeres in the PP matrix was verified by the disappearance of the d（003） XRD diffraction peak of MgAI（DS） and observation of TEM image. The DSC data show that the SDS/LDH inorganic components negatively affect the crystallization properties of PP and decrease the size of PP sphcrulites because the inorganic components act as additional nuclei. The PP/MgA1 LDH nanocomposites have a faster charring progress in a temperature range of 250--430 ℃ and a better thermal stability above 320℃ than pure PP.

关键词： Layered doubled hydroxide Polypropylene Nanocomposite Thermal property Crystallization behavior

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Symplectic Analysis on Coupling Behaviors of Spatial Fiexible Damping Beam

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Acta Mechanica Solida Sinica 2022年第4期35卷 541-551页

作者： Weipeng Hu Xiaojian Xi zhe Zhai Pengfei cui Fan zhang Zichen Deng School of Civil Engineering and Architecture Xi’an University of TechnologyXi’an710048China State Key Laboratory of Eco-Hydraulics in Northwest Arid Region of China Xi’an University of TechnologyXi’an710048China China Academy of Ordnance Science Beijing100089China School of Mechanics Civil Engineering and ArchitectureNorthwestern Polytechnical UniversityXi’an710072China

Although the complex structure-preserving method presented in our previous studies can be used to investigate the orbit–attitude–vibration coupled dynamic behaviors of the spatial flexible damping beam,the simulation speed still needs to be *** this paper,the infinite-dimensional dynamic model describing the orbit–attitude–vibration coupled dynamic problem of the spatial flexible damping beam is pretreated by the method of separation of variables,and the second-level fourth-order symplectic Runge–Kutta scheme is constructed to investigate the coupling dynamic behaviors of the spatial flexible damping beam *** with the simulation speed of the complex structure-preserving method,the simulation speed of the symplectic Runge–Kutta method is faster,which benefits from the pretreatment *** effect of the initial radial velocity on the transverse vibration as well as on the attitude evolution of the spatial flexible damping beam is presented in the numerical *** the numerical results about the effect of the initial radial velocity,it can be found that the appearance of the initial radial velocity can decrease the vibration frequency of the spatial beam and shorten the evolution interval for the attitude angle to tend towards a stable value *** addition,the validity of the numerical results reported in this paper is verified by comparing with some numerical results presented in our previous studies.

关键词： Symplectic Runge-Kutta method Spatial fexible damping beam Orbit-attitudevibration coupled dynamic behavior Structure-preserving

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A simple method of depressing numerical dissipation effects during wave simulation within the Euler model

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Acta Oceanologica Sinica 2020年第1期39卷 141-156页

作者： zhe Hu Xiaoying zhang Weicheng cui Fang Wang Xiaowen Li Yan Li Key Laboratory of Ships and Ocean Engineering of Fujian Province School of Marine EngineeringJimei UniversityXiamen 361021China Deep Sea Technology Research Center School of EngineeringWest Lake UniversityHangzhou 310024China Hadal Science and Technology Research Center College of Marine SciencesShanghai Ocean UniversityShanghai 201306China

Numerical wave tanks are widely-acknowledged tools in studying waves and wave-structure interactions. They can generate waves under realistic scales and offers more information on the fluid field. However, most numerical wave tanks suffer from issues known as the numerical dissipation and numerical dispersion. The former causes wave energy to be slowly dissipated and the latter shifts wave frequencies during wave propagation. This paper proposes a simple method of depressing numerical dissipation effects on the basis of solving Euler equations using the finite difference method(FDM). The wave propagation solutions are solved analytically taking into account the influence of the damping terms. The main idea of the method is to append a source term to the momentum equation, whose strength is determined by how strong the numerical damping effect is. The method is verified by successfully depressing numerical effects during the simulation of regular linear waves, Stokes waves and irregular waves. By applying the method, wave energy is able to be close to its initial value after long distance of travel.

关键词： numerical dissipation numerical wave tank wave simulation numerical damping reduction finite difference method

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Overcoming cancer therapeutic bottleneck by drug repurposing

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Signal Transduction and Targeted Therapy 2020年第1期5卷 1449-1473页

作者： zhe zhang Li Zhou Na Xie Edouard CNice Tao zhang Yongping cui Canhua Huang State Key Laboratory of Biotherapy and Cancer Center West China Hospitaland West China School of Basic Medical Sciences&Forensic MedicineSichuan Universityand Collaborative Innovation Center for Biotherapy610041 ChengduChina Department of Biochemistry and Molecular Biology Monash UniversityClaytonVICAustralia The School of Biological Science and Technology Chengdu Medical College610083 ChengduChina Department of Oncology The Second Affiliated Hospital of Chengdu Medical CollegeChina National Nuclear Corporation 416 HospitalChengdu610051 SichuanChina Cancer Institute Peking University Shenzhen HospitalShenzhen Peking University—the Hong Kong University of Science and Technology(PKU-HKUST)Medical Centerand Cancer InstituteShenzhen Bay Laboratory Shenzhen518035 ShenzhenChina Department of Pathology&Shanxi Key Laboratory of Carcinogenesis and Translational Research on Esophageal Cancer Shanxi Medical UniversityTaiyuan030001 ShanxiChina School of Basic Medical Sciences Chengdu University of Traditional Chinese MedicineChengdu611137 SichuanChina

Ever present hurdles for the discovery of new drugs for cancer therapy have necessitated the development of the alternative strategy of drug repurposing,the development of old drugs for new therapeutic *** strategy with a cost-effective way offers a rare opportunity for the treatment of human neoplastic disease,facilitating rapid clinical *** an increased understanding of the hallmarks of cancer and the development of various data-driven approaches,drug repurposing further promotes the holistic productivity of drug discovery and reasonably focuses on target-defined antineoplastic ***“treasure trove”of non-oncology drugs should not be ignored since they could target not only known but also hitherto unknown vulnerabilities of ***,different from targeted drugs,these old generic drugs,usually used in a multi-target strategy may bring benefit to *** this review,aiming to demonstrate the full potential of drug repurposing,we present various promising repurposed non-oncology drugs for clinical cancer management and classify these candidates into their proposed administration for either mono-or drug combination *** also summarize approaches used for drug repurposing and discuss the main barriers to its uptake.

关键词： drugs therapeutic classify

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Interleukin-6 receptor blockade suppresses subretinal fibrosis in a mouse model

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International Journal of Ophthalmology(English edition) 2014年第2期7卷 194-197页

作者： Wei cui Han zhang zhe-Li Liu Department of Ophthalmology the First Hospital of China Medical University

AIM:To determine the involvement of the interleukin(IL)-6 with the development of experimental subretinal fibrosis in a mouse ***:Subretinal fibrosis was induced by subretinal injection of macrophage-rich peritoneal exudate cells and the local expression of IL-6 was assessed by quantitative real-time reverse transcriptionpolymerase chain reaction(RT-PCR)and enzyme-linked immunosorbent assay(ELISA)at various time *** addition,we investigated the effect of IL-6 receptor(IL-6R)monoclonal antibody(MR16-1)on subretinal fibrosis ***:IL-6 mRNA level was significantly elevated at 1d after subretinal fibrosis induction and increased further to about 12-fold at 2d,reaching the *** result of ELISA showed that IL-6 protein was not detected in naive *** 2d after subretinal fibrosis induction,IL-6 protein level was upregulated to 67.33±14.96 pg/mg in subretinal fibrosis ***16-1treatment resulted in a reduced subretinal fibrosis area by 48%compared to animals from control group at ***:Our results indicated that IL-6 signaling may contribute to the pathogenesis of subretinal fibrogenesis and IL-6R inhibition may provide an effective,novel treatment of advanced and late-stage neovascular age-related macular degeneration.

关键词： interleukin-6 subretinal fibrosis age-related macular degeneration

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Effects of process parameters on fragment and refinement of millimeter- grade coarse grains for 316LN steel during hot cogging

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Journal of Iron and Steel Research International 2017年第5期24卷 529-535页

作者： Da-shan Sui Hai-ming zhang Hong-yang Zhu zhe Zhu zhen-shan cui National Die & Mold CAD Engineering Research Center Shanghai Jiao Tong University Shanghai 200030 China Shanghai Heavy Machinery Plant Shanghai 200245 China

The heterogeneous mixed-grain microstructure is a common defect for the heavy forging of 316LN austenitie stainless steel. Isothermal compression experiments were performed on a gleeble-3500 thermo-mechanical simulator to investigate the effect of process parameters on the fragment and re- finement of millimeter-grade coarse grains （MCgs） during hot cogging. The experimental results in- dicate that the stress of MCg specimens is much larger than that of fine grain （Fg） ones at 1150 ℃, while the stress difference between MCg and Fg samples became smaller at 1200 ℃. Moreover, the MCgs can be well fragmented and refined under the condition of temperature of 1200 ℃, strain rate of 0.01 s-1 , and reduction rate of 50%. Meanwhile, numerical simulations were conducted to study the influences of temperature, strain and strain rate on microstructure evolution. The results of ex- periments and simulations comprehensively demonstrate that the MCg results in the increase of de- formation resistance and incompatibility of deformation, and it can be fragmented and refined at 1200 ℃ so that the plastic deformation energy decreases remarkably with the increase of temperature from 1 150 to 1200 ℃.

关键词： 316LN steel Hot deformation Coarse grain Microstrueture evolution Numerical simulation

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Synergistic effect of polyoxometalate solution and TiO_2 under UV irradiation to catalyze formic acid degradation and their application in the fuel cell and hydrogen evolution

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green Energy & Environment 2017年第4期2卷 436-441页

作者： Congmin Liu zhe zhang Wei Liu Xu Du Shi Liu Yong cui guodian New Energy Technology Research Institute School of Chemical & Biomolecular Engineering and RBI at georgia Tech Georgia Institute of Technology Key Laboratory of Nuclear Materials and Safety Assessment Division of Materials for Special Environments Institute of Metal Research Chinese Academy of Sciences

The synergistic effect of H_3PMo_(12)O_(40) or H_3PW_(12)O_(40) polyoxometalate solution(POM) and TiO_2 to catalyze formic acid oxidation was investigated. Under UV irradiation, hole and electron were photogenerated by TiO_2. Formic acid was oxided by the photogenerated hole and photogenerated electron was transferred to reduce polyoxometalate. With this design, formic acid can be converted into electricity in the fuel cell and hydrogen can be generated in the electrolysis cell without noble metal catalyst. Unlike other noble metal catalysts applied in the fuel cells and electrolysis cell, POM and TiO_2 are stable and low cost. The maximum output power density of liquid formic acid fuel cell after 12 h UV irradiation is 5.21 mW/cm^2 for phosphmolybdic acid and 22.81 m W/cm^2 for phosphotungstic acid respectively. The applied potential for the hydrogen evolution is as low as 0.8 V for phosphmolybdic acid and 0.6 V for phosphotungstic acid.

关键词： TiO2 UV Polyoxometalate solution(POM) Fuel cell Hydrogen evolution

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