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催化剂 2

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Engineering

Raquel Portela, Susana Perez-Ferreras, Ana Serrano-Lotina, Miguel A. Bañares

《化学科学与工程前沿(英文)》 2018年 第12卷 第3期   页码 509-536 doi: 10.1007/s11705-018-1740-9

摘要:

The term operando was coined at the beginning of this century to gather the growing efforts devoted to establish structure-activity relationships by simultaneously characterizing a catalyst performance and the relevant surface chemistry during genuine catalytic operation. This approach is now widespread and consolidated; it has become an increasingly complex but efficient junction where spectroscopy, materials science, catalysis and engineering meet. While for some characterization techniques kinetically relevant reactor cells with good resolution are recently developing, the knowledge gained with magnetic resonance and X-ray and vibrational spectroscopy studies is already huge and the scope of operando methodology with these techniques is recently expanding from studies with small amounts of powdered solids to more industrially relevant catalytic systems. Engineering catalysis implies larger physical domains, and thus all sort of gradients. Space- and time- resolved multi-technique characterization of both the solid and fluid phases involved in heterogeneous catalytic reactions (including temperature data) is key to map processes from different perspectives, which allows taking into account existing heterogeneities at different scales and facing up- and down-scaling for applications ranging from microstructured reactors to industrial-like macroreactors (operating with shaped catalytic bodies and/or in integral regime). This work reviews how operando methodology is evolving toward engineered reaction systems.

关键词: operando     structured catalysts     space-resolved     time-resolved     spectroscopy    

结构化稀疏学习综述 Review

Lin-bo QIAO, Bo-feng ZHANG, Jin-shu SU, Xi-cheng LU

《信息与电子工程前沿(英文)》 2017年 第18卷 第4期   页码 445-463 doi: 10.1631/FITEE.1601489

摘要: 稀疏学习由于其简约特性和计算优势而获得了越来越多的关注,在具有稀疏性的条件下,许多计算问题可以在实践中得到有效的处理。而结构化稀疏学习则进一步将结构信息进行编码,在多个研究领域取得成功。随着各类型结构的发现,人们相继提出了各种结构化正则函数。这些正则函数通过利用特定的结构信息极大提高了稀疏学习算法的性能。在本文中,我们从想法、形式化、算法和应用等方面系统的回顾了结构化稀疏学习。我们将这些算法置于最小化损失函数和惩罚函数的统一框架中,总结了算法的开源软件实现,并比较了典型优化算法解决结构化稀疏学习问题时的计算复杂度。在实验中,我们给出了无监督学习在结构化信号恢复和层次化图像重建中的应用,以及具有图结构引导的逻辑回归的在监督学习中的应用。

关键词: 结构化稀疏学习;算法;应用    

Water quality soft-sensor prediction in anaerobic process using deep neural network optimized by Tree-structured

《环境科学与工程前沿(英文)》 2023年 第17卷 第6期 doi: 10.1007/s11783-023-1667-3

摘要:

● Hybrid deep-learning model is proposed for water quality prediction.

关键词: Water quality prediction     Soft-sensor     Anaerobic process     Tree-structured Parzen Estimator    

Computational design of structured chemical products

Faheem Mushtaq, Xiang Zhang, Ka Y. Fung, Ka M. Ng

《化学科学与工程前沿(英文)》 2021年 第15卷 第5期   页码 1033-1049 doi: 10.1007/s11705-020-2002-1

摘要: In chemical product design, the aim is to formulate a product with desired performance. Ingredients and internal product structure are two key drivers of product performance with direct impact on the mechanical, electrical, and thermal properties. Thus, there is a keen interest in elucidating the dependence of product performance on ingredients, structure, and the manufacturing process to form the structure. Design of product structure, particularly microstructure, is an intrinsically complex problem that involves different phases of different physicochemical properties, mass fraction, morphology, size distribution, and interconnectivity. Recently, computational methods have emerged that assist systematic microstructure quantification and prediction. The objective of this paper is to review these computational methods and to show how these methods as well as other developments in product design can work seamlessly in a proposed performance, ingredients, structure, and manufacturing process framework for the design of structured chemical products. It begins with the desired target properties and key ingredients. This is followed by computation for microstructure and then selection of processing steps to realize this microstructure. The framework is illustrated with the design of nanodielectric and die attach adhesive products.

关键词: product design     performance     ingredients     structure     manufacturing process framework     structured chemical products     microstructure design    

Efficient and selective electro-reduction of nitrobenzene by the nano-structured Cu catalyst prepared

Yali CHEN,Lu XIONG,Weikang WANG,Xing ZHANG,Hanqing YU

《环境科学与工程前沿(英文)》 2015年 第9卷 第5期   页码 897-904 doi: 10.1007/s11783-015-0782-1

摘要: Pollution caused by toxic nitrobenzene has been a widespread environmental concern. Selective reduction of nitrobenzene to aniline is beneficial to further efficient and cost-effective biologic treatment. Electrochemical reduction is a promising method and Cu-based catalysts have been found to be an efficient cathode material for this purpose. In this work, Cu catalysts with different morphologies were fabricated on Ti plate using a facile electrodepositon method via tuning the applied voltage. The dendritic nano-structured Cu catalysts obtained at high applied voltages exhibited an excellent efficiency and selectivity toward the reduction of nitrobenzene to aniline. Effects of the working potential and initial nitrobenzene concentration on the selective reduction of nitrobenzene to aniline using the Cu/Ti electrode were investigated. A high rate constant of 0.0251 min and 97.1% aniline selectivity were achieved. The fabricated nano-structured Cu catalysts also exhibited good stability. This work provides a facile way to prepare highly efficient, cost-effective, and stable nano-structured electrocatalysts for pollutant reduction.

关键词: nitrobenzene     nano-structured Cu     electro-reduction     voltage-dependent electrodeposition     high selectivity     high stability    

Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

《环境科学与工程前沿(英文)》 2023年 第17卷 第9期 doi: 10.1007/s11783-023-1711-3

摘要:

● Properties and performance relationship of CSBT photocatalyst were investigated.

关键词: Black TiO2     Core-shell structure     Property-performance relationship     Agro-industrial effluent     Environmental remediation    

Erratum to: Efficient keyword search over graph-structured data based on minimal covered Erratum

Asieh Ghanbarpour, Abbas Niknafs, Hassan Naderi,naderi@iust.ac.ir

《信息与电子工程前沿(英文)》 2020年 第21卷 第6期   页码 809-962 doi: 10.1631/FITEE.18e0133

摘要: Unfortunately the second author’s name has been misspelt. It should be read: Abbas NIKNAFS.

Electrochemical CO reduction to C products over CuZn intermetallic catalysts synthesized by electrodeposition

《能源前沿(英文)》 doi: 10.1007/s11708-023-0898-0

摘要: Electrocatalytic CO2 reduction (ECR) offers an attractive approach to realizing carbon neutrality and producing valuable chemicals and fuels using CO2 as the feedstock. However, the lack of cost-effective electrocatalysts with better performances has seriously hindered its application. Herein, a one-step co-electrodeposition method was used to introduce Zn, a metal with weak *CO binding energy, into Cu to form Cu/Zn intermetallic catalysts (Cu/Zn IMCs). It was shown that, using an H-cell, the high Faradaic efficiency of C2+ hydrocarbons/alcohols (FEC2+) could be achieved in ECR by adjusting the surface metal components and the applied potential. In suitable conditions, FEC2+ and current density could be as high as 75% and 40 mA/cm2, respectively. Compared with the Cu catalyst, the Cu/Zn IMCs have a lower interfacial charge transfer resistance and a larger electrochemically active surface area (ECSA), which accelerate the reaction. Moreover, the *CO formed on Zn sites can move to Cu sites due to its weak binding with *CO, and thus enhance the C–C coupling on the Cu surface to form C2+ products.

关键词: carbon dioxide electroreduction     electrochemistry     co-electrodeposition     intermetallic catalysts     value-added chemicals    

Oxygen reduction electrocatalysis: From conventional to single-atomic platinum-based catalysts for proton

《能源前沿(英文)》 doi: 10.1007/s11708-023-0907-3

摘要: Platinum (Pt)-based materials are still the most efficient and practical catalysts to drive the sluggish kinetics of cathodic oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). However, their catalysis and stability performance still need to be further improved in terms of corrosion of both carbon support and Pt catalyst particles as well as Pt loading reduction. Based on the developed synthetic strategies of alloying/nanostructuring Pt particles and modifying/innovating supports in developing conventional Pt-based catalysts, Pt single-atom catalysts (Pt SACs) as the recently burgeoning hot materials with a potential to achieve the maximum utilization of Pt are comprehensively reviewed in this paper. The design thoughts and synthesis of various isolated, alloyed, and nanoparticle-contained Pt SACs are summarized. The single-atomic Pt coordinating with non-metals and alloying with metals as well as the metal-support interactions of Pt single-atoms with carbon/non-carbon supports are emphasized in terms of the ORR activity and stability of the catalysts. To advance further research and development of Pt SACs for viable implementation in PEMFCs, various technical challenges and several potential research directions are outlined.

关键词: oxygen reduction electrocatalysis     Pt single-atom catalysts     conventional Pt-based catalysts     design thoughts and synthesis     metal-support interactions    

Impacts of cone-structured interface and aperiodicity on nanoscale thermal transport in Si/Ge superlattices

Pengfei JI, Yiming RONG, Yuwen ZHANG, Yong TANG

《能源前沿(英文)》 2018年 第12卷 第1期   页码 137-142 doi: 10.1007/s11708-018-0532-8

摘要: Si/Ge superlattices are promising thermoelectric materials to convert thermal energy into electric power. The nanoscale thermal transport in Si/Ge superlattices is investigated via molecular dynamics (MD) simulation in this short communication. The impact of Si and Ge interface on the cross-plane thermal conductivity reduction in the Si/Ge superlattices is studied by designing cone-structured interface and aperiodicity between the Si and Ge layers. The temperature difference between the left and right sides of the Si/Ge superlattices is set up for nonequilibrium MD simulation. The spatial distribution of temperature is recorded to examine whether the steady-state has been reached. As a crucial factor to quantify thermal transport, the temporal evolution of heat flux flowing through Si/Ge superlattices is calculated. Compared with the even interface, the cone-structured interface contributes remarkable resistance to the thermal transport, whereas the aperiodic arrangement of Si and Ge layers with unequal thicknesses has a marginal influence on the reduction of effective thermal conductivity. The interface with divergent cone-structure shows the most excellent performance of all the simulated cases, which brings a 33% reduction of the average thermal conductivity to the other Si/Ge superlattices with even, convergent cone-structured interfaces and aperiodic arrangements. The design of divergent cone-structured interface sheds promising light on enhancing the thermoelectric efficiency of Si/Ge based materials.

关键词: thermoelectric material     thermal transport     Si/Gesuperlattics     molecular dynamics (MD)    

Experimental study of the effects of structured surface geometry on water spray cooling performance in

Minghou LIU, Yaqing WANG, Dong LIU, Kan XU, Yiliang CHEN

《能源前沿(英文)》 2011年 第5卷 第1期   页码 75-82 doi: 10.1007/s11708-010-0014-0

摘要: Experiments were conducted to study the effects of enhanced surfaces on heat transfer performance during water spray cooling in non-boiling regime. The surface enhancement is straight fin. The structures were machined on the top surface of heated copper blocks with a cross-sectional area of 10 mm×10 mm. The spray was performed using Unijet full cone nozzles with a volumetric flux of 0.044–0.053 m /(m ·s) and a nozzle height of 17 mm. It is found that the heat transfer is obviously enhanced for straight fin surfaces relative to the flat surface. However, the increment decreases as the fin height increases. For flat surface and enhanced surfaces with a fin height of 0.1 mm and 0.2 mm, as the coolant flux increases, the heat flux increases as well. However, for finned surface with a height of 0.4 mm, the heat flux is not sensitive to the coolant volumetric flux. Changed film thickness and the form of water/surface interaction due to an enhanced surface structure (different fin height) are the main reasons for changing of the local heat transfer coefficient.

关键词: spray cooling     finned surface     heat transfer    

Promising approach for preparing metallic single-atom catalysts: electrochemical deposition

《能源前沿(英文)》 2022年 第16卷 第4期   页码 537-541 doi: 10.1007/s11708-022-0837-5

Deep convolutional tree-inspired network: a decision-tree-structured neural network for hierarchical

《机械工程前沿(英文)》 2021年 第16卷 第4期   页码 814-828 doi: 10.1007/s11465-021-0650-6

摘要: The fault diagnosis of bearings is crucial in ensuring the reliability of rotating machinery. Deep neural networks have provided unprecedented opportunities to condition monitoring from a new perspective due to the powerful ability in learning fault-related knowledge. However, the inexplicability and low generalization ability of fault diagnosis models still bar them from the application. To address this issue, this paper explores a decision-tree-structured neural network, that is, the deep convolutional tree-inspired network (DCTN), for the hierarchical fault diagnosis of bearings. The proposed model effectively integrates the advantages of convolutional neural network (CNN) and decision tree methods by rebuilding the output decision layer of CNN according to the hierarchical structural characteristics of the decision tree, which is by no means a simple combination of the two models. The proposed DCTN model has unique advantages in 1) the hierarchical structure that can support more accuracy and comprehensive fault diagnosis, 2) the better interpretability of the model output with hierarchical decision making, and 3) more powerful generalization capabilities for the samples across fault severities. The multiclass fault diagnosis case and cross-severity fault diagnosis case are executed on a multicondition aeronautical bearing test rig. Experimental results can fully demonstrate the feasibility and superiority of the proposed method.

关键词: bearing     cross-severity fault diagnosis     hierarchical fault diagnosis     convolutional neural network     decision tree    

Current challenge and perspective of PGM-free cathode catalysts for PEM fuel cells

Gang WU

《能源前沿(英文)》 2017年 第11卷 第3期   页码 286-298 doi: 10.1007/s11708-017-0477-3

摘要: To significantly reduce the cost of proton exchange membrane fuel cells, platinum-group metal (PGM)-free cathode catalysts are highly desirable. Current M-N-C (M: Fe, Co or Mn) catalysts are considered the most promising due to their encouraging performance. The challenge thus has been their stability under acidic conditions, which has hindered their use for any practical applications. In this review, based on the author’s research experience in the field for more than 10 years, current challenges and possible solutions to overcome these problems were discussed. The current Edisonian approach (i.e., trial and error) to developing PGM-free catalysts has been ineffective in achieving revolutionary breakthroughs. Novel synthesis techniques based on a more methodological approach will enable atomic control and allow us to achieve optimal electronic and geometric structures for active sites uniformly dispersed within the 3D architectures. Structural and chemical controlled precursors such as metal-organic frameworks are highly desirable for making catalysts with an increased density of active sites and strengthening local bonding structures among N, C and metals. Advanced electrochemical and physical characterization, such as electron microscopy and X-ray absorption spectroscopy should be combined with first principle density functional theory (DFT) calculations to fully elucidate the active site structures.

关键词: oxygen reduction     fuel cells     cathode     nonprecious metal catalysts     carbon nanocomposites    

Selective preparation for biofuels and high value chemicals based on biochar catalysts

《能源前沿(英文)》 2023年 第17卷 第5期   页码 635-653 doi: 10.1007/s11708-023-0878-4

摘要: The reuse of biomass wastes is crucial toward today’s energy and environmental crisis, among which, biomass-based biochar as catalysts for biofuel and high value chemical production is one of the most clean and economical solutions. In this paper, the recent advances in biofuels and high chemicals for selective production based on biochar catalysts from different biomass wastes are critically summarized. The topics mainly include the modification of biochar catalysts, the preparation of energy products, and the mechanisms of other high-value products. Suitable biochar catalysts can enhance the yield of biofuels and higher-value chemicals. Especially, the feedstock and reaction conditions of biochar catalyst, which affect the efficiency of energy products, have been the focus of recent attentions. Mechanism studies based on biochar catalysts will be helpful to the controlled products. Therefore, the design and advancement of the biochar catalyst based on mechanism research will be beneficial to increase biofuels and the conversion efficiency of chemicals into biomass. The advanced design of biochar catalysts and optimization of operational conditions based on the biomass properties are vital for the selective production of high-value chemicals and biofuels. This paper identifies the latest preparation for energy products and other high-value chemicals based on biochar catalysts progresses and offers insights into improving the yield of high selectivity for products as well as the high recyclability and low toxicity to the environment in future applications.

关键词: biomass     biochar catalysts     biofuels     high chemicals    

标题 作者 时间 类型 操作

Engineering

Raquel Portela, Susana Perez-Ferreras, Ana Serrano-Lotina, Miguel A. Bañares

期刊论文

结构化稀疏学习综述

Lin-bo QIAO, Bo-feng ZHANG, Jin-shu SU, Xi-cheng LU

期刊论文

Water quality soft-sensor prediction in anaerobic process using deep neural network optimized by Tree-structured

期刊论文

Computational design of structured chemical products

Faheem Mushtaq, Xiang Zhang, Ka Y. Fung, Ka M. Ng

期刊论文

Efficient and selective electro-reduction of nitrobenzene by the nano-structured Cu catalyst prepared

Yali CHEN,Lu XIONG,Weikang WANG,Xing ZHANG,Hanqing YU

期刊论文

Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

期刊论文

Erratum to: Efficient keyword search over graph-structured data based on minimal covered

Asieh Ghanbarpour, Abbas Niknafs, Hassan Naderi,naderi@iust.ac.ir

期刊论文

Electrochemical CO reduction to C products over CuZn intermetallic catalysts synthesized by electrodeposition

期刊论文

Oxygen reduction electrocatalysis: From conventional to single-atomic platinum-based catalysts for proton

期刊论文

Impacts of cone-structured interface and aperiodicity on nanoscale thermal transport in Si/Ge superlattices

Pengfei JI, Yiming RONG, Yuwen ZHANG, Yong TANG

期刊论文

Experimental study of the effects of structured surface geometry on water spray cooling performance in

Minghou LIU, Yaqing WANG, Dong LIU, Kan XU, Yiliang CHEN

期刊论文

Promising approach for preparing metallic single-atom catalysts: electrochemical deposition

期刊论文

Deep convolutional tree-inspired network: a decision-tree-structured neural network for hierarchical

期刊论文

Current challenge and perspective of PGM-free cathode catalysts for PEM fuel cells

Gang WU

期刊论文

Selective preparation for biofuels and high value chemicals based on biochar catalysts

期刊论文