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Adsorption behavior of CO2/H2S mixtures in calcite slit nanopores for CO2 storage:An insight from molecular perspective

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Petroleum Science 2024年第4期21卷 2444-2456页

作者： Cheng Qian Zhen-Hua Rui Yue-Liang liu Kai Du Chen liu yang Zhao xiao-Min Ma State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum College of Petroleum Engineering China University of Petroleum College of Carbon Neutrality Future Technology China University of Petroleum College of Petroleum China University of Petroleum-Beijing at Karamay College of Mining Engineering Taiyuan University of Technology

It is acknowledged that injecting CO2into oil reservoirs and saline aquifers for storage is a practical and affordable method for *** CO2produced from industrial exhaust contains impurity gases such as H2S that might impact CO2sequestration due to competitive *** study makes a commendable effort to explore the adsorption behavior of CO2/H2S mixtures in calcite slit *** Canonical Monte Carlo（GCMC） simulation is employed to reveal the adsorption of CO2,H2S as well as their binary mixtures in calcite *** show that the increase in pressure and temperature can promote and inhibit the adsorption capacity of CO2and H2S in calcite nanopores,***2exhibits stronger adsorption on calcite surface than *** energy plays the dominating role in the adsorption *** energy accounts for 97.11% of the CO2-calcite interaction energy and 56.33% of the H2S-calcite interaction energy at 10 MPa and 323.15 *** presence of H2S inhibits the CO2adsorption in calcite nanopores due to competitive adsorption,and a higher mole fraction of H2S leads to less *** quantity of CO2adsorbed is lessened by approximately 33% when the mole fraction of H2S reaches ***2molecules preferentially occupy the regions near the po re wall and H2S molecules tend to reside at the center of nanopore even when the molar ratio of CO2is low,indicating that CO2has an adsorption priority on the calcite surface over *** addition,moisture can weaken the adsorption of both CO2and H2S,while CO2is more *** interestingly,we find that pure CO2is more suitable to be sequestrated in the shallower formations,i.e.,500-1500 m,whereas CO2with H2S impurity should be settled in the deeper reservoirs.

关键词： Adsorption behavior CO 2 /H 2 S binary mixtures Molecular perspective Calcite slit nanopores CO 2 sequestration

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Effect of solute Ce,Mn,and Si on mechanical properties of silicon steel:insights from DFT calculations

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Journal of Iron and Steel Research International 2024年第3期31卷 700-709页

作者： Xiang-jun liu Ji-chun yang Hui-ping Ren xiao-bin Jia Ming-yi Zhang Chang-qiao yang School of Materials and Metallurgy Inner Mongolia University of Science and TechnologyBaotou 014010Inner MongoliaChina Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resource Inner Mongolia University of Science and TechnologyBaotou 014010Inner MongoliaChina Inner Mongolia North Heavy Industries Group Co. Ltd.Baotou 014010Inner MongoliaChina Inner Mongolia Metal Material Research Institute Baotou 014010Inner MongoliaChina

The influence of solute Ce,Mn,and Si on the mechanical properties of silicon steel was investigated by first-principles ***,Mn,and Si can all be solubilized in Fe *** significantly reduces the incompressibility and rigidity of the system but also significantly improves the toughness and *** effect of Mn on mechanical properties of the system is not *** has a significant effect on the improvement in incompressibility and rigidity but a limited effect on the improvement in toughness and *** metallic bond strength of Fe-Ce,Fe-Mn,and Fe-Si doped systems is weaker than that of the pure Fe system,which can be used to explain the reduction in the incompressibility and rigidity of these doped *** relatively high electron cloud density in the doped system may be responsible for the increase in toughness.

关键词： Silicon steel Rare earth First-principles calculation Elastic modulus Electronic structure

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Unraveling the modulation essence of p bands in Co-based oxide stability on acidic oxygen evolution reaction

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Nano Research 2024年第7期17卷 5922-5929页

作者： Yafei yang Yihao Xu Haiquan liu Qi Zhang Boling liu Menghua yang Huan Dai Zunjian Ke Dong He xiaobo Feng Xiangheng xiao Department of Physics Zhongnan Hospital of Wuhan UniversityWuhan UniversityWuhan 430072China School of Physics and Electronic Information Yunnan Normal UniversityKunming 650500China Yunnan Key Laboratory of Opto-electronic Information Technology Kunming 650500China

The oxygen evolution reaction(OER)electrocatalysts,which can keep active for a long time in acidic media,are of great significance to proton exchange membrane water ***,Ru-Co_(3)O_(4)electrocatalysts with transition metal oxide Co_(3)O_(4)as matrix and the noble metal Ru as doping element have been prepared through an ion exchange–pyrolysis process mediated by metal-organic framework,in which Ru atoms occupy the octahedral sites of Co_(3)O_(4).Experimental and theoretical studies show that introduced Ru atoms have a passivation effect on lattice *** strong coupling between Ru and O causes a negative shift in the energy position of the O p-band ***,the bonding activity of oxygen in the adsorbed state to the lattice oxygen is greatly passivated during the OER process,thus improving the stability of matrix *** addition,benefiting from the modulating effect of the introduced Ru atoms on the metal active sites,the thermodynamic and kinetic barriers have been significantly reduced,which greatly enhances both the catalytic stability and reaction efficiency of Co_(3)O_(4).

关键词： p-band modulation oxygen evolution reaction stability acidic oxygen evolution reaction(OER)

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Two-person device-free localization system based on ZigBee and transformer

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High Technology Letters 2024年第1期30卷 61-67页

作者：刘天蒙 yang Hai xiao WU Hong School of Electronic Information and Optical Engineering Nankai UniversityTianjin 300350P.R.China Tianjin Key Laboratory of Optoelectronic Sensor and Sensing Network Technology Nankai UniversityTianjin 300350P.R.China Engineering Research Center of Thin Film Optoelectronics Technology Nankai UniversityTianjin 300350P.R.China

Most studies on device-free localization currently focus on single-person *** paper proposes a novel method for device-free localization that utilizes ZigBee received signal strength indication(RSSI)and a Transformer network *** method aims to address the limited research and low accuracy of two-person device-free *** paper first describes the construction of the sensor network used for collecting ZigBee *** then examines the format and features of ZigBee data *** algorithm design of this paper is then *** box plot method is used to identify abnormal data points,and a neural network is used to establish the mapping model between ZigBee RSSI matrix and localization *** neural network includes a Transformer encoder layer as the encoder and a fully connected network as the *** proposed method's classification accuracy was experimentally tested in an online test stage,resulting in an accuracy rate of 98.79%.In conclusion,the proposed two-person localization system is novel and has demonstrated high accuracy.

关键词： device-free localization deep learning ZigBee

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Effects of the initiation position on the damage and fracture characteristics of linear-charge blasting in rock

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International Journal of Minerals,Metallurgy and Materials 2024年第3期31卷 443-451页

作者： Chenxi Ding Renshu yang xiao Guo Zhe Sui Chenglong xiao Liyun yang School of Civil and Resource Engineering University of Science and Technology BeijingBeijing 100083China School of Mechanics and Civil Engineering China University of Mining and Technology(Beijing)Beijing 100083China School of Mathematics and Physics University of Science and Technology BeijingBeijing 100083China State Key Lab of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

To study the effects of the initiation position on the damage and fracture characteristics of linear-charge blasting, blasting model experiments were conducted in this study using computed tomography scanning and three-dimensional reconstruction methods. The fractal damage theory was used to quantify the crack distribution and damage degree of sandstone specimens after blasting. The results showed that regardless of an inverse or top initiation, due to compression deformation and sliding frictional resistance, the plugging medium of the borehole is effective. The energy of the explosive gas near the top of the borehole is consumed. This affects the effective crushing of rocks near the top of the borehole, where the extent of damage to Sections Ⅰ and Ⅱ is less than that of Sections Ⅲ and Ⅳ. In addition, the analysis revealed that under conditions of top initiation, the reflected tensile damage of the rock at the free face of the top of the borehole and the compression deformation of the plug and friction consume more blasting energy, resulting in lower blasting energy efficiency for top initiation. As a result, the overall damage degree of the specimens in the top-initiation group was significantly smaller than that in the inverse-initiation group. Under conditions of inverse initiation, the blasting energy efficiency is greater, causing the specimen to experience greater damage. Therefore, in the engineering practice of rock tunnel cut blasting, to utilize blasting energy effectively and enhance the effects of rock fragmentation, using the inverse-initiation method is recommended. In addition, in three-dimensional(3D) rock blasting, the bottom of the borehole has obvious end effects under the conditions of inverse initiation, and the crack distribution at the bottom of the borehole is trumpet-shaped. The occurrence of an end effect in the 3D linear-charge blasting model experiment is related to the initiation position and the blocking condition.

关键词： blasting linear charge initiation position computed tomography three-dimensional reconstruction damage

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Current status and challenges in the application of microbial PHA particles

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Particuology 2024年第4期87卷 286-302页

作者： Jiaxuan liu Ziqi Zhou Haoru Li Xinyu yang Zeyu Wang jian xiao Dai-Xu Wei Key Laboratory of Resource Biology and Biotechnology in Western China Ministry of EducationSchool of MedicineDepartment of Life Sciences and MedicineNorthwest UniversityXi'an710069China School of Clinical Medicine Qujing Medical CollegeQujing655000China School of Physics and Electronic Information Shangrao Normal UniversityShangrao334001China Zigong Affiliated Hospital of Southwest Medical University Zigong Psychiatric Research CenterZigong Institute of Brain ScienceZigong643002China

Polyhydroxyalkanoates(PHAs)are diversiform biopolyesters with a similar structure and different side chain groups,synthesized by a variety of *** to their excellent biodegradability and biocompatibility,PHAs have been used for many applications,including medical implants,antibacterial agents and ***-architecture is an emerging area for the use of *** review summarizes the current status and challenges of PHAs-based particles on the micro-and nano-scale,including their production,degradation,biological safety,and surface *** also focus on the applications of PHA particles in drug delivery systems,environment protection,tissue engi-neering,vaccine engineering,food science,biotechnology and ***,the future development trends of PHAs-based particles are prospected.

关键词： Polyhydroxyalkanoates(PHAs) Particles Synthetic biology Tissue engineering

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Strategies for flame-retardant polymer electrolytes for safe lithiumbased batteries

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Nano Research 2024年第10期17卷 8754-8771页

作者： xiao Ma yang Lu Yu Ou Shuaishuai Yan Wenhui Hou Pan Zhou Kai liu Department of Chemical Engineering Tsinghua UniversityBeijing 100084China

The advancement of lithium-based batteries has spurred anticipation for enhanced energy density,extended cycle life and reduced capacity ***,these benefits are accompanied by potential risks,such as thermal runaway and explosions due to higher energy ***,liquid organic electrolytes are the predominant choice for lithium batteries,despite their limitations in terms of mechanical strength and vulnerability to *** development of polymer electrolytes,with their high Young’s modulus and enhanced safety features,offers a potential solution to the drawbacks of traditional liquid *** these advantages,polymer electrolytes are still susceptible to burning and *** address this issue,researchers have conducted extensive studies to improve their flame-retardant properties from various *** review provides a concise overview of the thermal runaway mechanisms,flame-retardant mechanisms and electrochemical performance of polymer *** also outlines the advancements in flame-retardant polymer electrolytes through the incorporation of various additives and the selection of inherently flame-retardant *** review aims to offer a comprehensive understanding of flame-retardant polymer electrolytes and serve as a guide for future research in this field.

关键词： lithium batteries polymer electrolyte thermal runaway flame-retardant additives energy storage materials

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Facile synthesis of W-Mo bimetallic oxides with high adsorption properties from secondary resources

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Tungsten 2024年第4期6卷 806-820页

作者： Jia-Li Cheng yang-Si liu xiao-Li Xi Zuo-Ren Nie Collaborative Innovation Center of Capital Resource-Recycling Material Technology College of Materials Science and Engineering Beijing University of Technology National Engineering Laboratory for Industrial Big-Data Application Technology Beijing University of Technology Key Laboratory of Advanced Functional Materials Ministry of Education Beijing University of Technology

A simple solvothermal method was used to obtain W-Mo bimetallic oxides from W-Mo alloy scrap,and pure metal powders were also used as the raw materials to simulate *** products had a sea urchin-like structure with abundant oxygen vacancies and the products prepared at low temperatures forms a sosoloid resembling orthorhombic *** WMo bimetallic oxide prepared at the reaction temperature of 120 ℃ exhibited excellent selective adsorption performance for methylene blue（MB）,which the adsorption rate of MB reached 99% in 12 min and the adsorption rate reached 90% after6 adsorption *** the W-Mo molar ratio is 1:3,the maximum adsorption capacity of sample for MB can reach1148 mg·*** adsorption process followed the Langmuir and pseudo-second-order models,which is surface-controlled monolayer *** experimental results show the feasibility of preparing W-Mo bimetal oxide products from pure materials and *** process is simple and effective,which offered a potential approach for secondary resource recycling and reusing.

关键词： Oxygen vacancy Selective adsorption Solvothermal W–Mo alloy scrap W–Mo bimetallic oxide

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The impact of female sex hormones on cardiovascular disease:from mechanisms to hormone therapy

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Journal of Geriatric Cardiology 2024年第6期21卷 669-681页

作者： Yi KAN Yu-Lu PENG Ze-Hao ZHAO Shu-Tong DONG Yin-xiao XU xiao-Teng MA xiao-Li liu Yu-yang liu Yu-Jie ZHOU Department of Cardiology Beijing Anzhen HospitalCapital Medical UniversityBeijing Institute of Heart Lung and Blood Vessel DiseaseBeijing Key Laboratory of Precision Medicine of Coronary Atherosclerotic DiseaseClinical Center for Coronary Heart DiseaseCapital Medical UniversityBeijingChina

Cardiovascular disease remains the leading cause of mortality in women,yet it has not raised the awareness from the *** pathogenesis of cardiovascular disease differs significantly between females and males concerning the effect of sex *** and progestogen impact cardiovascular system through genomic and non-genomic *** menopause,cardiovascular protective effects of estrogens have been well *** were often used in combination with estrogens in hormone *** in sex hormone levels,particularly estrogen deficiency,were considered the specific risk factor in women’s cardiovascular ***,considerable heterogeneity in the impact of hormone therapy was observed in clinical *** heterogeneity is likely closely associated with factors such as the initial time,administration route,dosage,and formulation of hormone *** review will delve into the pathogenesis and hormone therapy,summarizing the effect of female sex hormones on hypertension,pre-eclampsia,coronary heart disease,heart failure with preserved ejection fraction,and cardiovascular risk factors specific to women.

关键词： impact dosage protective

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Prediction for permeability index of blast furnace based on VMD-PSO-BP model

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Journal of Iron and Steel Research International 2024年第3期31卷 573-583页

作者： xiao-jie liu Yu-jie Zhang Xin Li Zhi-feng Zhang Hong-yang Li Ran liu Shu-jun Chen School of Metallurgy and Energy North China University of Science and TechnologyTangshan 063210HebeiChina Chengde Branch HBIS Group Co.Ltd.Chengde 067000HebeiChina

The permeability index is one of the important production indicators to monitor the operation of blast *** is crucial to grasp the trends of changes in the new permeability index in *** the complex vibration spectrum of the permeability index,a prediction model of the permeability index based on the VMD-PSO-BP(variational mode decomposition-particle swarm optimization-back propagation)method was ***,the key factors that affect the permeability index of blast furnace were studied from multiple ***,the permeability index was divided into multiple sub-modes based on the difference of frequency bands by the VMD algorithm,and a PSO-BP prediction model was established for each ***,the prediction results of each sub-mode were summed to obtain the final *** results show that the composite prediction accuracy by using the VMD algorithm is 3%higher than that of the traditional prediction method,which has better applicability.

关键词： Big data-Blast furnace Air permeability Variational mode decomposition Particle swarm optimization Back propagation Model prediction

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