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Vibrational spectroscopic identification of isoprene, pinenes and their mixture

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Chinese Chemical Letters 2016年第4期27卷 527-534页

作者： Pan An Cheng-Qian Yuan Xian-Hu Liu De-Bao Xiao zhi-xun luo Beijing National Laboratory for Molecular Sciences (BNLMS) State Key Laboratory for Structural Chemistry of Unstable and Stable SpeciesInstitute of Chemistry Chinese Academy of Sciences Beijing 100190 China School of Environmental and Chemical Engineering Yanshan University Qinhuangdao 066004 China Institute of Advanced Materials (IAM) Nanjing Technology University Nanjing 210046 China

Here we show a study of vibrational spectroscopic identification of a few typical organic compounds which are known as the main sources of organic aerosols（OAs） particle matter in air pollution. Raman and IR spectra of isoprene, terpenoids, pinenes and their mixture are meticulously examined, showing distinguishable intrinsic vibrational spectroscopic fingerprints for these chemicals, respectively. As a reference, first-principles calculations of Raman and infrared activities are also conducted. It is interestingly found that, the experimental spectra are peak-to-peak consistent with the DFT（Density Functional Theory）-calculated vibrational activities. Also found is that, in a certain case such as for bpinene, a dimer model, rather than an isolated single molecular model, reproduces the experimental results, indicating unneglected intermolecular interactions. Starting with this study, we are endeavoring to advocate a database of Raman/IR fingerprint spectra for OA haze identification.

关键词： Organic aerosol Raman IR Isoprene Terpenoids Pinenes

Effects of Number of Bleed Holes on Shock-Wave/Boundary-Layer Interactions in a Transonic Compressor Stator

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Journal of Thermal Science 2024年第2期33卷 611-624页

作者： LI Bai ZHOU xun luo Lei DU Wei School of Energy Science and Engineering Harbin Institute of TechnologyHarbin150001China

An extensive numerical investigation is conducted to characterize the flow separation control in a transonic compressor cascade with a porous *** bleed holes are arranged on the suction surface in a single row,two staggered rows and three staggered *** each bleed scheme,five bleed pressure ratios are examined at an inlet Mach number of *** results indicate that the aerodynamic performance of the cascade is significantly improved by the porous *** the single-row scheme,the maximum reduction in total pressure losses is 57%.For the two-staggered-row and three-staggered-row schemes,there is an optimal bleed pressure ratio of 1.0,and the maximum reductions in total pressure loss are 68% and 75%,*** low loss in the cascade is due to the well-controlled boundary *** new local supersonic region created by the bleed hole is the key reason for the improved boundary *** vortex induced by side bleeding provides another mechanism for delaying flow *** the bleed holes could create multiple local supersonic regions,which reduce the range of the adverse pressure gradient that the boundary layer needs to *** is the reason why cascades with more bleed holes perform better.

关键词： transonic compressor stator shock wave/boundary layer interaction porous bleed number of bleed holes

Combination of diketone and PAO to achieve macroscale oil-based superlubricity at relative high contact pressures

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Friction 2024年第5期12卷 869-883页

作者： Shaonan DU Chenhui ZHANG zhi luo State Key Laboratory of Tribology in Advanced Equipment Tsinghua UniversityBeijing100084China Beijing National Laboratory of Molecular Sciences CAS Key Laboratory of Engineering PlasticsInstitute of ChemistryChinese Academy of SciencesBeijing100190China

1-(4-ethylphenyl)-nonane-1,3-dione(0206)is an oil-soluble liquid molecule with rod-like *** this study,the chelate(0206-Fe)with octahedral structure was prepared by the reaction of ferric chloride and 1,*** experimental results show that when using 0206 and a mixed solution containing 60%0206-Fe and 40%0206(0206-Fe(60%))as lubricants of the steel friction pairs,superlubricity can be achieved(0.007,0.006).But their wear scar diameters(WSD)were very large(532µm,370µm),which resulted in the pressure of only 44.3 and 61.8 MPa in the contact areas of the friction *** 0206-Fe(60%)was mixed with PAO6,it was found that the friction coefficient(COF)decreased with increase of 0206-Fe(60%)in the *** the ratio of 0206-Fe(60%)to PAO6 was 8:2(PAO6(20%)),it exhibited better comprehensive tribological properties(232.3 MPa).Subsequent studies have shown that reducing the viscosity of the base oil in the mixed solution helped to reduce COF and increased *** the COF,contact pressure,and running-in time,it was found that the mixed lubricant(Oil3(20%))prepared by the base oil with a viscosity of 19.7 mPa·s(Oil3)and 0206-Fe(60%)exhibited the best tribological properties(0.007,161.4 MPa,3,100 s).

关键词： diketone oil-based lubricants chelate superlubricity

Study on the tribological properties of metal rolling bearing under lubrication with diketone lubricants

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Science China(Technological Sciences) 2024年第7期67卷 2003-2017页

作者： DU ShaoNan ZHANG ChenHui luo zhi State Key Laboratory of Tribology in Advanced Equipment Tsinghua UniversityBeijing 100084China Beijing National Laboratory of Molecular Sciences CAS Key Laboratory of Engineering PlasticsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China

In this article, 1-(4-ethylphenyl)-nonane-1,3-dione(0206) was prepared by Claisen condensation. By mixing 0206, chelate, and base oil in a ratio of 3.2:4.8:2, a diketone lubricant(PAO=14(20%)) that can achieve superlubricity was prepared and applied to bearing lubrication experiments. The experimental results show that when the bearing was lubricated by base oil, the friction coefficient(COF) and temperature rise decreased with the decrease of the viscosity of PAO. When PAO=14(20%) was used as the lubricant, the COF of the bearing was the lowest(0.001), and the wear morphology was comparable to that of the bearing lubricated with commercial lubricant. Compared with the base oil with the same viscosity, it is found that the COF and temperature rise of the bearing lubricated by PAO=14(20%) were lower under any experimental conditions. And when the amount of lubricant added was 10 μL, the COF of the bearing lubricated by PAO=14(20%) reached a very low value(0.0004).Bearing ball surface analysis identified the formation of diketone adsorption films. Combined with the previous PAO=14(20%)superlubricity mechanism, it was considered that the occurrence of tribochemical reaction and the bearing effect of chelates were the main reasons for the existence of ultra-low friction coefficient and low wear. In addition, when there were polar molecules in the lubricant, they were adsorbed on the metal surface through tribochemical reactions, resulting in many irregular pits on the surface.

关键词： superlubricity diketone chelate tribochemical recations bearing lubrication

3D robust anisotropic diffusion filtering algorithm for sparse view neutron computed tomography 3D image reconstruction

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Nuclear Science and Techniques 2024年第3期35卷 13-29页

作者： Yang Liu Teng-Fei Zhu zhi luo Xiao-Ping Ouyang School of Nuclear Science and Engineering North China Electric Power UniversityBeijing 102206China State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330013China State Key Laboratory of Intense Pulsed Radiation Simulation and Effect Xi’an 710024China

The most critical part of a neutron computed tomography(NCT) system is the image processing algorithm,which directly affects the quality and speed of the reconstructed *** types of noise in the system can degrade the quality of the reconstructed ***,to improve the quality of the reconstructed images of NCT systems,efficient image processing algorithms must be *** anisotropic diffusion filtering(ADF) algorithm can not only effectively suppress the noise in the projection data,but also preserve the image edge structure information by reducing the diffusion at the image ***,we propose the application of the ADF algorithm for NCT image *** compare the performance of different algorithms in NCT systems,we reconstructed images using the ordered subset simultaneous algebraic reconstruction technique(OS-SART) algorithm with different regular terms as image processing *** the iterative reconstruction,we selected two image processing algorithms,the Total Variation and split Bregman solved total variation algorithms,for comparison with the performance of the ADF ***,the filtered back-projection algorithm was used for comparison with an iterative *** reconstructing the projection data of the numerical and clock models,we compared and analyzed the effects of each algorithm applied in the NCT *** on the reconstruction results,OS-SART-ADF outperformed the other algorithms in terms of denoising,preserving the edge structure,and suppressing *** example,when the 3D Shepp–Logan was reconstructed at 25 views,the root mean square error of OS-SART-ADF was the smallest among the four iterative algorithms,at only *** universal quality index,mean structural similarity,and correlation coefficient of the reconstructed image were the largest among all algorithms,with values of 0.9877,0.9878,and 0.9887,respectively.

关键词： NCT OS-SART Sparse-view Anisotropic diffusion filtering

High-Order Two-Scale Asymptotic Paradigm for the Elastodynamic Homogenization of Periodic Composites

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Acta Mechanica Solida Sinica 2024年第1期37卷 124-138页

作者： Wei-zhi luo Mu He Liang Xia Qi-Chang He State Key Laboratory of Intelligent Manufacturing Equipment and Technology Huazhong University of Science and TechnologyWuhan 430074China Laboratoire Modélisation et Simulation Multi-Echelle MSME UMR 8208 CNRSUniversite Gustave Eiffel77454 Marne-la-ValléeFrance

The classical two-scale asymptotic paradigm provides macroscopic and microscopic analyses for the elastodynamic homogenization of periodic composites based on the spatial or/and temporal variable,which offers an approximate framework for the asymptotic homogenization analysis of the motion ***,in this framework,the growing complexity of the homogenization formulation gradually becomes an obstacle as the asymptotic order *** such a context,a compact,fast,and accurate asymptotic paradigm is *** work reviews the high-order spatial two-scale asymptotic paradigm with the effective displacement field representation and optimizes the implementation by symmetrizing the tensor to be ***,the modified implementation gets rid of the excessive memory consumption required for computing the high-order tensor,which is demonstrated by representative one-and two-dimensional *** numerical results show that(1)the contrast of the material parameters between media in composites directly affects the convergence rate of the asymptotic results for the homogenization of periodic composites,(2)the convergence error of the asymptotic results mainly comes from the truncation error of the modified asymptotic homogenized motion equation,and(3)the excessive norm of the normalized wavenumber vector in the two-dimensional inclusion case may lead to a non-convergence of the asymptotic results.

关键词： Composites Homogenization Asymptotic analysis Dynamics Dispersion

Rapid chemical recycling of waste polyester plastics catalyzed by recyclable catalyst

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Green Chemical Engineering 2024年第2期5卷 257-265页

作者： Yu-Ji luo Jia-Yin Sun zhi Li School of Physical Science and Technology ShanghaiTech UniversityShanghai201210China

Waste plastics are serious environmental threats due to their low degradability and low recycling *** and efficient waste plastics recycling technologies are urgently demanded for a sustainable ***,we report a rapid,closed-loop,and streamlined process to convert polyesters such as poly(ethylene terephthalate)(PET)back to its purified *** trifluoromethanesulfonic acid or metal triflates as the recyclable catalyst,polyesters such as PET can be completely depolymerized by simple carboxylic acids within 1 *** coupling this acidolysis with a subsequent hydrogenolysis process,the consumed carboxylic acid was recovered and the closed-loop of PET depolymerization could be *** catalysts and depolymerization agents are fully recycled while only PET and hydrogen are consumed.

关键词： Chemical recycling Waste polyester plastics Acidolysis Recyclable catalyst

Research progress on micro-force measurement of a hydrate particle system

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Petroleum Science 2024年第4期21卷 2169-2183页

作者： Qiang luo Wei Li zhi-Hui Liu Feng Wang zhi-Chao Liu Fu-Long Ning Faculty of Engineering China University of Geosciences (Wuhan) Suzhou Laboratory

It remains a great challenge to understand the hydrates involved in phenomena in practical oil and gas systems. The adhesion forces between hydrate particles, between hydrate particles and pipe walls, and between hydrate particles and reservoir particles are essential factors that control the behaviors of clathrate hydrates in different applications. In this review, we summarize the typical micro-force measurement apparatus and methods utilized to study hydrate particle systems. In addition, the adhesion test results, the related understandings, and the applied numerical calculation models are systematically discussed.

关键词： Clathrate hydrates Hydrate particle Micro-force measurements Adhesion Interactions

Sparse-view neutron CT 3D image reconstruction algorithm based on split Bregman method

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Nuclear Science and Techniques 2024年第9期35卷 41-55页

作者： Teng-Fei Zhu Yang Liu zhi luo Xiao-Ping Ouyang School of Nuclear Science and Engineering North China Electric Power UniversityBeijing 102206China State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330013China State Key Laboratory of Intense Pulsed Radiation Simulation and Effect Xi’an 710024China

As a complement to X-ray computed tomography(CT),neutron tomography has been extensively used in nuclear engineer-ing,materials science,cultural heritage,and industrial *** of the attenuation matrix for neutron tomography with a traditional analytical algorithm requires hundreds of projection views in the range of 0°to 180°and typically takes several hours to *** a low time-resolved resolution degrades the quality of neutron *** the number of projection acquisitions is an important approach to improve the time resolution of images;however,this requires efficient reconstruction ***,sparse-view reconstruction algorithms in neutron tomography need to be *** this study,we investigated the three-dimensional reconstruction algorithm for sparse-view neu-tron CT *** enhance the reconstructed image quality of neutron CT,we propose an algorithm that uses OS-SART to reconstruct images and a split Bregman to solve for the total variation(SBTV).A comparative analysis of the performances of each reconstruction algorithm was performed using simulated and actual experimental *** to the analyzed results,OS-SART-SBTV is superior to the other algorithms in terms of denoising,suppressing artifacts,and preserving detailed structural information of images.

关键词： Neutron CT OS-SART Sparse-view 3D reconstruction Split Bregman Total variation