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Photothermal Synergistic Effect Induces Bimetallic Cooperation to Modulate Product Selectivity of CO2Reduction on Different CeO2Crystal Facets

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Angewandte Chemie 2024年第46期136卷

作者： Yuqi Ren Yitao Si Mingyue Du Changjun You Chunyang Zhang Yuan-Hao Zhu Prof. Zhenkun Sun Prof. Kai Huang Prof. Maochang Liu Prof. Lunbo Duan Prof. Naixu Li School of Chemistry and Chemical Engineering Southeast University No.2 Dongnandaxue Road Nanjing 211189 Jiangsu P.R. China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No.28 Xianning West Road Xi'an Shaanxi 710049 P.R. China Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy and Environment No.2 Dongnandaxue Road Nanjing 210096 Jiangsu P.R. China

Product selectivity of solar-driven CO 2 reduction and H 2 O oxidation reactions has been successfully controlled by tuning the spatial distance between Pt/Au bimetallic active sites on different crystal facets of CeO 2 catalysts. The replacement depth of Ce atoms by monatomic Pt determines the distance between bimetallic sites, while Au clusters are deposited on the surface. This space configuration creates a favourable microenvironment for the migration of active hydrogen species (*H). The *H is generated via the activation of H 2 O on monatomic Pt sites and migrate towards Au clusters with a strong capacity for CO 2 adsorption. Under concentrated solar irradiation, selectivity of the (100) facet towards CO is 100 %, and the selectivity of the (110) and (111) facets towards CH 4 is 33.5 % and 97.6 %, respectively. Notably, the CH 4 yield on the (111) facet is as high as 369.4 μmol/g/h, and the solar-to-chemical energy efficiency of 0.23 % is 33.8 times higher than that under non-concentrated solar irradiation. The impacts of high-density flux photon and thermal effects on carriers and *H migration at the microscale are comprehensively discussed. This study provides a new avenue for tuning the spatial distance between active sites to achieve optimal product selectivity.

关键词： Photothermal catalysis CO2 reduction Product selectivity Bimetallic active sites Spatial distance

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Dynamic Pore-Scale Dissolution by CO2-Saturated Brine in Carbonates: Impact of Homogeneous Versus Fractured Versus Vuggy Pore Structure

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Water Resources Research 2020年第4期56卷 e2019WR026112-e2019WR026112页

作者： Yongfei Yang Yingwen Li Jun Yao Stefan Iglauer Linda Luquot Kai Zhang Hai Sun Lei Zhang Wenhui Song Zhiyu Wang Key Laboratory of Unconventional Oil and Gas Development China University of Petroleum (East China) Ministry of Education Qingdao China Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao China School of Engineering Petroleum Engineering Discipline Edith Cowan University Joondalup Western Australia Australia Université Montpellier CNRS Geosciences Montpellier Laboratory Montpellier France

Limestone pore structure strongly influences dissolution and associated reactive transport. These effects are critical in limestone diagenesis and but also in engineering operations such as carbon capture and storage (CCS). However, detailed studies on how CO 2 -enriched (acidic) brine changes this pore structure at relevant reservoir storage conditions are very limited. Thus, to provide further quantitative information and more fundamental understanding about these key processes, we studied the dissolution patterns of a homogeneous, a fractured, and a vuggy limestone when flooded with CO 2 -saturated brine at representative storage conditions. The pore structured of these limestones showed drastically different responses to the acidic brine flood. As such, preferential channels surrounded by branched channels were formed in the homogeneous sample, while fractures became the main flow path in the fractured sample. In contrast, only one dominant channel formed in the vuggy sample, which resulted in a sharp permeability increase. These dissolution patterns reflect the associated Damköhler number, which significantly lower in the homogeneous, representing uniform dissolution. However, after injecting sufficient reactive fluid (1,000 PV), this uniform dissolution pattern transformed into a single preferential channel growth. Moreover, we conclude that increasing complexity of the pore geometry leads to more nonuniform dissolution. These dissolution patterns indicate the effect of initial pore structure on preferential channel growth and reaction transport. Our work provides key fundamental data for further quantifying limestone dissolution patterns in CCS, indicating that the CO 2 injection may cause the reactivation of geological faults and damage around wellbore, thus aids in the implementation of industrial-scale CCS. The impact of limestone pore structure on reactive transport was analyzed experimentally and computationally The dissolution patterns of homogeneous, f

关键词： Carbonate dissolution pattern Carbon storage Pore-scale Micro-CT Permeability changes Pe -Da distribution

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Sodium-Ion Batteries: Carbon-Based Alloy-Type Composite Anode Materials toward Sodium-Ion Batteries (Small 22/2019)

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Small 2019年第22期15卷

作者： Guorui Yang P. Robert Ilango Silan Wang Muhammad Salman Nasir Linlin Li Dongxiao Ji Yuxiang Hu Seeram Ramakrishna Wei Yan Shengjie Peng Department of Chemistry School of Science Xi'an Jiaotong University Xi'an 710049 P. R. China Department of Environmental Science & Engineering State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China Department of Mechanical Engineering National University of Singapore Singapore 117574 Singapore Jiangsu Key Laboratory of Electrochemical Energy Storage Technologies College of Materials Science and Technology Nanjing University of Aeronautics and Astronautics Nanjing 210016 China Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) Nankai University Tianjin 300071 China Nanomaterials Centre School of Chemical Engineering and Australian Institute for Bioengineering and Nanotechnology The University of Queensland QLD 4072 Australia

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Shale oil redistribution-induced flow regime transition in nanopores

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Energy 2023年 282卷

作者： Hai Sun Tianhao Li Zheng Li Dongyan Fan Lei Zhang Yongfei Yang Kai Zhang Junjie Zhong Jun Yao Key Laboratory of Unconventional Oil & Gas Development (China University of Petroleum (East China)) Ministry of Education Qingdao 266580 PR China Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao 266580 PR China State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Chengdu University of Technology Chengdu 610059 PR China

The previous neglect of shale oil multi-component characteristics and the nanpore wall properties of real shale result in an insufficient understanding of shale oil flow mechanisms in nanopores . Meanwhile, research on the flow regimes of shale oil remains lacking. In this study, molecular dynamics simulations are employed to investigate the flow of shale oil in hydroxylated quartz nanopores and rough kerogen nanopores. Simulation results show that the flow regime changed as the pressure gradient (∇ p ) increased to a critical value (∇ p c ). The velocity profile was parabolic when ∇ p < ∇ p c , but gradually became piston-like when ∇ p ≥ ∇ p c . Because increasing ∇ p leads the adsorbed molecules desorbing, aggregating in the pore center, and forming clusters that are not easy to shear. Increasing vertical force from pore wall causes fluid aggregation in the pore center as ∇ p increases. The ∇ p c in kerogen nanopores is larger than that in quartz nanopores due to the rough kerogen surface and sticky layers. Multi-component fluids have higher ∇ p c than single-component fluids in quartz nanopores. However, they have the same ∇ p c in kerogen nanopores due to the rough kerogen surface. This investigation can provide theoretical basis for high-efficient production of shale oil.

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Interface engineering of Z-scheme heterojunction for photocatalytic water splitting

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Fundamental Research 2024年

作者： Daming Zhao Yuxiao Yang Vasileios Binas Shaohua Shen School of Advanced Energy Shenzhen Campus of Sun Yat-sen University Shenzhen 518107 China Institute of Electronic Structure and Laser (IESL) FORTH P.O. Box 1527 Vasilika Vouton GR-71110 Heraklion Greece Physical Chemistry Laboratory Chemistry Department Aristotle University of Thessaloniki 54124 Thessaloniki Greece International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

Photocatalytic water splitting technology can directly convert solar energy into H 2 via a zero-carbon route, offering a sustainable solution for solar utilization and H 2 supply. Among various developed photocatalysts, Z-scheme heterojunction mimicking natural photosynthesis by combining two dissimilar semiconductors for redox reactions in series has unequivocally demonstrated its superiority in enhanced charge transfer, robust redox driving force, and wide optical absorption range. A comprehensive understanding on the fundamental principles of interface engineering between semiconductor components is the key to construct an efficient Z-scheme heterojunction. By focusing on different types of semiconductors, this article thoroughly expounds the coupling principles of components in binary mediator-free and ternary solid-mediator Z-scheme heterojunctions for photocatalytic water splitting, from the viewpoint of band structure alignment and interfacial electric field design. In addition to the well summarized research progresses in recent years, perspectives on the challenges and opportunities for developing advanced Z-scheme heterojunctions are provided.

关键词： Interface engineering Z-scheme heterojunction Water splitting Photocatalysis Solar energy conversion

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Pore-Scale Modeling of Coupled CO2flow and Dissolution in 3D Porous Media for Geological Carbon Storage

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Water Resources Research 2023年第10期59卷 e2023WR035402-e2023WR035402页

作者： Yongfei Yang Jinlei Wang Jianzhong Wang Yingwen Li Hai Sun Lei Zhang Junjie Zhong Kai Zhang Jun Yao National Key Laboratory of Deep Oil and Gas China University of Petroleum (East China) Qingdao P. R. China Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao P. R. China Y. Yang

Dissolution trapping is one of the crucial trapping mechanisms for geological carbon storage in deep saline aquifers. The injected supercritical CO 2 (scCO 2 ) flow and dissolution processes are coupled and interact with each other. Therefore, we performed direct numerical simulations in three-dimensional micro-CT images of sandstones using the volume of fluid and continuous species transfer method. We investigated the coupled scCO 2 flow and dissolution processes at pore-scale under different rock structures, capillary numbers, and rock wettability conditions. The dynamic evolution of the scCO 2 /brine phase distribution and scCO 2 concentration distribution occurring during the injection period were presented and analyzed. Complicated coupling mechanisms between scCO 2 -brine two-phase flow and interphase mass transfer were also revealed. Our results showed that the scCO 2 dissolution was highly dependent on the local distribution of scCO 2 clusters. The rock with relatively high porosity and permeability would have more capacity for scCO 2 injection resulting in a faster and greater dissolution of scCO 2 in brine. The effect of capillary number on the scCO 2 dissolution process was related to the range of capillary number. The effective upscaled (macro-scale) mass transfer coefficient ( k A ) during scCO 2 dissolution was evaluated, and the power-law relationship between k A and Péclet number was obtained. Rock wettability was found to be another factor controlling the scCO 2 dissolution process by affecting the scCO 2 -brine interfacial area. Our pore-scale study provides a deep understanding of the scCO 2 dissolution trapping mechanism, which is important to enhance the prediction of sequestration risk and improve sequestration efficiency. Pore-scale modeling of coupled CO 2 -brine two-phase flow and interphase mass transfer processes in 3D real rocks Examined the dynamic evolution of CO 2 /brine phase distribution and CO 2 concentration distribution during the

关键词： geological carbon storage pore-scale modeling CO2 dissolution multiphase flow mass transfer

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Excess thermodynamic properties and FTIR studies of binary of 1, 3-dichlorobenzene with alkyl acetates (C1–C5) at different temperatures

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Chemical Data Collections 2020年 29卷

作者： R. Raju S. Ravikumar R. Gerald Arokiaraj S. Karlapudi K. Sivakumar V. Pandiyan Department of Physics Nehru Memorial College (Autonoums) Puthanampatti 621 007Tamil Nadu India. State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi 710049 P. R. China. Department of Chemistry S.V.Arts Degree & P.G.College (T.T.D'S) Tirupati 517502 A.P India

Densities ( ρ ) and speed of sound ( u ) have been reported for the binary mixtures containing 1, 3- dichlorobenzene (1, 3-DCB) with methyl acetate, ethyl acetate, propyl acetate, butyl acetate and pentyl acetate at four different temperatures ( T = 303.15, 308.15, 313.15 and 318.15 K) and at atmospheric pressure. The experimental data of densities and speeds of sound has been further utilized to calculate excess molar volume ( V m E ) and excess isentropic compressibility ( κ S E ) the excess properties have been fitted to Redlich-Kister equation. Further, V m E results have also been discussed by using Prigogine–Flory–Patterson (PFP). The experimental speeds of sound data in the present investigated mixtures were compared with various theoretical models like collision factor theory (CFT) and free length theory (FLT) to check their relative merits of pure component properties. Moreover, the experimental excess functions were correlated in terms of FTIR spectral analysis.

关键词： Binary mixtures Densities Ester Halogenated benzene Speed of sound FTIR

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Inside Back Cover: Volume 2 Issue 2

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SmartMat 2021年第2期2卷

作者： Niuwa Yang Dong Chen Penglei Cui Tingyu Lu Hui Liu Chaoquan Hu Lin Xu Jun Yang State Key Laboratory of Multiphase Complex Systems Chinese Academy of Sciences Beijing China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing China Nanjing IPE Institute of Green Manufacturing Industry Nanjing Jiangsu China Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials Science Nanjing Normal University Nanjing Jiangsu China Lin Xu School of Chemistry and Materials Science Jiangsu Key Laboratory of New Power Batteries Nanjing Normal University Nanjing 210023 Jiangsu China.

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Numerical and experimental studies on the influences of flow field on the measurement accuracy of ultrasonic water meters

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Measurement: Sensors 2021年 18卷

作者： Jieqiang Ji Jianying Zheng GuoFu Chen Xiaojie Wu NingNing Zhang Yan Fang Leming Cheng Zhejiang Province Institute of Metrology Hangzhou 310018 China National Centre of Quality Supervision and Testing on Liquid Flow Measuring Instruments Hangzhou 310018 China State Key Laboratory of Clean Energy Utilization Institute for Thermal Power Engineering Zhejiang University Hangzhou 310027 China

CFD modelling and experiments are carried out to study the influences of flow field on the measurement accuracy of ultrasonic water meters. The swirl generator and flow disturber are selected to change the flow field distributions inside the pipe. The calculation results show that the installation of left-handed swirl generator induces a specific flow pattern of the fluid inside the pipe, while the installation of flow disturber leads to the distortion of the axial velocity distributions. The critical distance of the fluid reaching the steady flow is 10D for left-handed swirl generator and flow disturber. In the experiment part, six different ultrasonic water meters are selected for the intrinsic errors tests. The results show that the installations of swirl generator and flow disturber induce the intrinsic errors shift to negative values. Compared with the flow disturber, the swirl generator has greater impact on the measurement accuracy.

关键词： flow field Disturbance generators Ultrasonic water meters CFD

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Permeability prediction of considering organic matter distribution based on deep learning

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Physics of Fluids 2023年第3期35卷

作者： Hai Sun (孙海) Liang Zhou (周亮) Dongyan Fan (樊冬艳) Lei Zhang (张磊) Yongfei Yang (杨永飞) Kai Zhang (张凯) Jun Yao (姚军) 1Key Laboratory of Unconventional Oil and Gas Development China University of Petroleum (East China) Ministry of Education Qingdao 266580 People's Republic of China 2Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao 266580 People's Republic of China

At present, researchers predict permeability through core experiments that require specific experimental conditions and methods, which are difficult and time-consuming. Conventional simulation methods for predicting permeability require considerable computational resources. Therefore, deep learning can be used as a pore-scale simulation prediction method. In this study, we established a workflow for directly predicting permeability from images. Considering that the mineral properties of the nanopore wall of shale oil have a large influence on the flow, a core dataset with organic distribution was constructed with random circles, and the slip influence of organic pores was considered. From our dataset, we found that the average permeability with organic distribution was 32.3% higher than that without organic distribution. Therefore, to simulate the microscopic flow and predict the permeability of shale oil, considering the differences in the pore flow mechanisms of different minerals is necessary. We designed a convolutional network for the dataset, adopted the structure of SE-ResNet, added the squeeze-and-excitation (SE) module to the double-layer residual module of ResNet18, and combined the characteristics of the SE block with the attention mechanism and ResNet to effectively obtain the information between channels and avoid the problem of gradient disappearance or explosion. Using SE-ResNet for directly predicting the apparent permeability from images, the accuracy of the test set reached 88.5%. The model had strong generalization ability, and the SE-ResNet could map the image of the core to the apparent permeability, which was approximately 100 times faster than the direct flow simulation.

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