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From the perspective of experimental practice: High-throughput computational screening in photocatalysis

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Green Energy & Environment 2024年第1期9卷 1-6页

作者： Yunxuan Zhao Junyu Gao Xuanang Bian han tang Tierui Zhang Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China Institute for AI Industry Research(AIR) Tsinghua UniversityBeijing100084China

Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion efﬁ-ciency of solar energy.In the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efﬁciency photocatalysts.In this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefﬁciency of the traditional“trial and error”method.Sub-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in detail.On the basis of the current experimental progress in photocatalysis,we also exempliﬁed the various challenges associated with high-throughput computational screening strategies.Finally,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.

关键词： Photocatalysis High-throughput computational screening Photocatalyst Theoretical simulations Experiments

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Highly efficient CO_(2) capture using 2-methylimidazole aqueous solution on laboratory and pilot-scale

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Chinese Journal of Chemical Engineering 2024年第3期67卷 148-156页

作者： Kun Li han tang Shuangshuang Li Zixuan Huang Bei Liu Chun Deng Changyu Sun Guangjin Chen State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing 102249China Zhejiang Tiandi Environmental Protection Technology Co. Ltd.Hangzhou 310012China

To date,the primary industrial carbon capture approach is still absorption using aqueous solutions of alkanolamines.Here,to pursue a substitute for the amine-based approach to improve the CO_(2) capture efficiency and decrease the energy cost further,we report a new carbon capture approach using a 2-methylimidazole(mIm)aqueous solution.The properties and sorption behaviors of this approach have been experimentally investigated.The results show that the mIm solution has higher CO_(2) absorption capacity under relatively higher equilibrium pressure(>130 kPa)and lower desorption heat than the methyldiethanolamine solution.91.6%sorption capacity of mIm solution can be recovered at 353.15 K and 80 kPa.The selectivity for CO_(2)/N_(2) and CO_(2)/CH_(4) can reach an exceptional 7609 and 4324,respectively.Furthermore,the pilot-scale tests were also performed,and the results demonstrate that more than 98%of CO_(2) in the feed gas could be removed and cyclic absorption capacity can reach 1 mol·L^(-1).This work indicates that mIm is an excellent alternative to alkanolamines for carbon capture in the industry.

关键词： CO_(2) capture Absorption 2-Methylimidazole Separation Pilot-scale tests

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Low-concentration and multi-component NMHCs capture from oil field exhaust using porous ZIF-8/iso-hexadecane slurry

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Green Chemical Engineering 2024年第2期5卷 245-256页

作者： Kun Li han tang Jin Cai Chun Deng Bei Liu Yunlei Peng Changyu Sun Guangjin Chen State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing102249China

Non-methane hydrocarbons(NMHCs)are a common type of volatile organic compounds(VOCs)pollutant in the petrochemical industry and have attracted widespread attention because of their adverse health effects and environmental impacts.In this paper,we report a new porous slurry formed with zeolitic imidazolate framework-8(ZIF-8)and iso-hexadecane to capture the low-concentration and multi-component NMHCs(mainly ethane(C_(2)H_(6)),propane(C_(3)H_(8)),and n-butane(n-C_(4)H_(10)))from the oil field exhaust.The sorption capacity of C_(2)H_(6)in the slurry is significantly higher than that of nitrogen(N_(2))and methane(CH_(4)).Moreover,the slurry demonstrated a clear advantage for C_(2)H_(6)over N_(2)and CH_(4)in competitive adsorption through the pressure-drop curves.In the NMHCs capture experiments,the C_(3)H_(8)and n-C_(4)H_(10)concentrations after purification can be reduced to below 100 ppm,while the C_(2)H_(6)concentration can reach approximately 180 ppm.More encouragingly,in the breakthrough tests,the slurry exhibits a perfect kinetic separation selectivity for multi-component NMHCs.Furthermore,to avoid structural collapse of ZIF-8 material during long-term use in acidic and wet environments,a certain amount of 2-methylimidazole was retained in the slurry as a protective agent in the material synthesis process.In this way,the ZIF-8 materials in the slurry can retain the stable characteristic structure in an aqueous and acidic environment and keep the capture capacity for NMHCs without degradation.We believe the porous ZIF-8/iso-hexadecane slurry is a promising capture agent for low-concentration and multi-component NMHCs with strong purification capacity and stability.

关键词： VOCs capture NMHCs capture MOFs ZIF-8 Porous slurry

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Potential role of tanycyte-derived neurogenesis in Alzheimer's disease

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Neural Regeneration Research 2025年第6期 1599-1612页

作者： Guibo Qi han tang Jianian Hu Siying Kang Song Qin Department of Anatomy Histology and Embryology School of Basic Medical Sciences Fudan University State Key Laboratory of Medical Neurobiology and MOE Frontiers Center for Brain Science Fudan University

Tanycytes, specialized ependymal cells located in the hypothalamus, play a crucial role in the generation of new neurons that contribute to the neural circuits responsible for regulating the systemic energy balance. The precise coordination of the gene networks controlling neurogenesis in naive and mature tanycytes is essential for maintaining homeostasis in adulthood. However, our understanding of the molecular mechanisms and signaling pathways that govern the proliferation and differentiation of tanycytes into neurons remains limited. This article aims to review the recent advancements in research into the mechanisms and functions of tanycyte-derived neurogenesis. Studies employing lineage-tracing techniques have revealed that the neurogenesis specifically originating from tanycytes in the hypothalamus has a compensatory role in neuronal loss and helps maintain energy homeostasis during metabolic diseases. Intriguingly,metabolic disorders are considered early biomarkers of Alzheimer's disease. Furthermore,the neurogenic potential of tanycytes and the state of newborn neurons derived from tanycytes heavily depend on the maintenance of mild microenvironments, which may be disrupted in Alzheimer's disease due to the impaired blood–brain barrier function.However, the specific alterations and regulatory mechanisms governing tanycyte-derived neurogenesis in Alzheimer's disease remain unclear. Accumulating evidence suggests that tanycyte-derived neurogenesis might be impaired in Alzheimer's disease, exacerbating neurodegeneration. Confirming this hypothesis, however, poses a challenge because of the lack of long-term tracing and nucleus-specific analyses of newborn neurons in the hypothalamus of patients with Alzheimer's disease. Further research into the molecular mechanisms underlying tanycyte-derived neurogenesis holds promise for identifying small molecules capable of restoring tanycyte proliferation in neurodegenerative diseases. This line of investigation could provide valuable insights into potential therapeuti

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Screening and impurity removal device to improve the accuracy of moisture content detection device for rice

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International Journal of Agricultural and Biological Engineering 2022年第6期15卷 113-123页

作者： han tang Changsu Xu Jiale Zhao Yijia Wang College of Engineering Northeast Agricultural UniversityHarbin 150030China College of Biological and Agricultural Engineering Jilin UniversityChangchun 130025China Department of Industrial and Manufacturing Systems Engineering The University of Hong KongPokfulam Road 999077China

An online detection device that used the capacitance method to detect the moisture content of rice in a combine harvester was designed and found a low detection accuracy because of the high impurity content of the samples.To solve this problem,a screening and impurity removal device was designed in this study,and the structural parameter range of the screw conveyor was the focus of the design.To determine the best structural parameters and operating parameters of the device,models of rice grains and short stems were established by the discrete element method.The Discrete Element Method(DEM)simulation test was carried out according to the Box-Behnken response surface method.When the rotating speed was 300 r/min,the diameter of spiral blade was 146 mm,the pitch was 80 mm,the diameter of rotating shaft was 30.6 mm,and the minimum impurity content was 0.27%.The density distributions and movement characteristics of the rice grains and short stems in the optimized screening and impurity removal device were studied.An experiment was carried out to compare data for the moisture content of rice measured by the online moisture content detection device before and after the installation of the screening and impurity removal device and the results of the 105°C drying method.The results showed that the impurity content of rice ranged from 0.26%to 0.37%,and the maximum effective screening rate was 90.99%after screening.The screening and impurity removal device significantly reduced the error in the moisture content measured by the online detection device,the error range was 0.12%-2.55%.This study provides a method for accurate online detection of moisture content and provides a reference for the design and simulation of related screening devices.

关键词： combine harvester parameter optimization rice motion characteristics discrete element model

Root tensile strength of terrace hedgerow plants in the karst trough valleys of SW China:Relation with root morphology and fiber content

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International Soil and Water Conservation Research 2022年第4期10卷 677-686页

作者： Yun Chen han tang Binghui He Zhehao Yan Xiaohong Liu Jiaojiao Qiang College of Resources and Environment/Chongqing Key Laboratory of Karst Environment Southwest UniversityChina

Root tensile strength is commonly affected by root morphology and fiber content,which combinedly affect the effectiveness of terrace hedgerow on controlling soil erosion in sloping farmland.However,the relationships between these root characteristics are still elusive.This study aimed to compare the root tensile strength,root morphologies,and root fiber contents,and quantify their differences among different plant species.Complete root systems of three terrace hedgerow plant species,i.e.,O.bodinieri,V.villosa,and D.lablab L.were sampled for detecting root morphologies and fiber contents at different slope positions on a representative hillslope in karst trough valley.Single root specimens were collected to measure root tensile properties for these three plant species.Results showed that most root morphological parameters were the highest in O.bodinieri,followed by D.lablab L.Three plant species presented the same dominant diameter class as<1.0 mm,and root volumes as<1.50 cm3.Cellulose with contents closing to 50%was the main fiber type,and increased significantly linearly with the increasing root diameter in both O.bodinieri and V.villosa.The highest tensile strength and Young's modulus were found in D.lablab L.,while the best ultimate tensile force and ultimate elongation were displayed in O.bodinieri.Root diameter showed negative power relationships with tensile strength and Young's modulus,a positive power relationship with ultimate tensile force,and a positive linear relationship with ultimate elongation.Our results will deepen the understanding of the terrace hedgerow functions for controlling soil erosion worldwide.

关键词： Soil bioengineering Soil erosion Tensile strength Root diameter Fiber content

Extreme Cold Events from East Asia to North America in Winter 2020/21:Comparisons,Causes,and Future Implications

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Advances in Atmospheric Sciences 2022年第4期39卷 553-565页

作者： Xiangdong ZhanG Yunfei FU Zhe han James E.OVERLAND Annette RINKE han tang Timo VIHMA Muyin WANG Univeristy of Alaska Fairbanks FairbanksAK 99775USA University of Science and Technology of China Hefei 230026China Institute of Atmospheric Physics Chinese Academy of SciencesBeijing 100029China NOAA/Pacific Marine Environmental Laboratory SeattleWA 98115USA Alfred Wegener Institute Helmholtz Center for Polar and Marine Research14401 PotsdamGermany Finnish Meteorological Institute FI-00101 HelsinkiFinland University of Washington SeattleWA 98105USA

Three striking and impactful extreme cold weather events successively occurred across East Asia and North America during the mid-winter of 2020/21.These events open a new window to detect possible underlying physical processes.The analysis here indicates that the occurrences of the three events resulted from integrated effects of a concurrence of anomalous thermal conditions in three oceans and interactive Arctic-lower latitude atmospheric circulation processes,which were linked and influenced by one major sudden stratospheric warming(SSW).The North Atlantic warm blob initiated an increased poleward transient eddy heat flux,reducing the Barents-Kara seas sea ice over a warmed ocean and disrupting the stratospheric polar vortex(SPV)to induce the major SSW.The Rossby wave trains excited by the North Atlantic warm blob and the tropical Pacific La Nina interacted with the Arctic tropospheric circulation anomalies or the tropospheric polar vortex to provide dynamic settings,steering cold polar air outbreaks.The long memory of the retreated sea ice with the underlying warm ocean and the amplified tropospheric blocking highs from the midlatitudes to the Arctic intermittently fueled the increased transient eddy heat flux to sustain the SSW over a long time period.The displaced or split SPV centers associated with the SSW played crucial roles in substantially intensifying the tropospheric circulation anomalies and moving the jet stream to the far south to cause cold air outbreaks to a rarely observed extreme state.The results have significant implications for increasing prediction skill and improving policy decision making to enhance resilience in“One Health,One Future”.

关键词： extreme weather events sea surface temperature Arctic sea ice Arctic amplification sudden stratospheric warming stratospheric polar vortex

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Vibration analysis and topology optimization of the header of full-feeding rice combine harvester

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International Journal of Agricultural and Biological Engineering 2023年第4期16卷 96-108页

作者： han tang Changsu Xu Jianhua Zhu Rui Guan Jinwu Wang College of Engineering Northeast Agricultural UniversityHarbin 150030China School of Water Conservancy and Civil Engineering Northeast Agricultural UniversityHarbin 150030China

The header frame of full-feeding rice combine harvester was characterized by severe vibration due to the excitation force generated by the movement of each working part.In order to solve the problem,the parametric model of the header frame was established,and the accuracy of the finite element model was verified by comparison of the results of the free modal analysis and free vibration modal test based on Eigensystem Realization Algorithm(ERA).Then the constrained modal frequencies were calculated and compared with the external excitation source frequencies,the results showed that the first and eighth order modal natural frequencies were coupled with the excitation frequencies of the threshing cylinder and the engine respectively,which were apt to resonate.To avoid resonance and achieve lightweight design,topology optimization,and finite element analysis were carried out.The optimization results showed that the strength and rigidity meet the requirements and the weight was 14.17%lower than before.The first and eighth order modal natural frequencies were far away from the excitation frequencies range of the threshing cylinder and engine,and the frequencies were far away from the range of each excitation frequency,which effectively avoided the occurrence of resonance.Field experiments showed that the peak value of the vibration acceleration in the three directions of the 8 measuring points of the optimized header frame was significantly reduced,which effectively reduced the vibration of the header frame during harvest.This study provides a method for obtaining the vibration characteristics of key components of agricultural machinery and provides a reference for the weight and vibration reduction of header frames of rice,wheat,rape,and other crop combine harvesters.

关键词： eigensystem realization algorithm modal analysis free modal test topology optimization lightweight field experiment

Structure optimization of cam executive component and analysis of precisely applying deep-fertilization liquid fertilizer

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International Journal of Agricultural and Biological Engineering 2019年第4期12卷 104-109页

作者： Wenqi Zhou Jinwu Wang han tang College of Engineering Northeast Agricultural UniversityHarbin 150030China

Since there are some problems in the previous cam of deep-fertilization liquid fertilizer applicator,such as poor precision and low-fertilization performance,a method of the contour line of a cam was proposed based on Matlab GUI development platform.Bernoulli’equation between the liquid fertilizer and the pressure valve of the fertilizer-spraying needle was founded.Moreover,the motion angles of a rise travel and return travel were corrected and the corresponding parameters of the contour line of the cam were obtained.Equations of cam moving from rise travel to return travel were derived according to the simple harmonic motion.In addition,3D model of cam was established by applying the Pro/E software and the rationality of the cam design was verified.The static analysis of the cam was carried out under working conditions and the corresponding dynamics analysis was performed based on D’Alembert’s principle.And then relationships between the binding force and the drag torque were obtained.A bench test indicates that when the pressure of a hydraulic pump is 0.5 MPa and the velocity of a output shaft is 50 r/min,the average consumption of the fertilizer is 19.7 mL for each measurement,which meets the corresponding agronomic requirement,i.e.20 mL.When the rotation angle of the cam is 8.6°and the rise displacement of a plunger is 0.84 mm,the mouth of the fertilizer-spraying needle sprayed liquid fertilizer as soon as it got into the soil and stopped spraying as soon as it got out of the soil.The results show that the designed contour line of the cam meets the requirement,that is,the mouth of the fertilizer-spraying needle should spray liquid fertilizer as soon as it gets into the soil and stop spraying as soon as it gets out of the soil,which meets the agronomic requirements,that is,fertilizer should be sprayed deeply and precisely.And this study lays a theoretical foundation for designing the cam of intermittent type distributor and provides relevant parameters.

关键词： liquid fertilizer applicator cam precision and deep fertilization Bernoulli’equation D’Alembert’s principle Matlab test optimization