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Modeling nanostructured catalyst layer in PEMFC and catalyst utilization

Jiejing ZHANG, Pengzhen CAO, Li XU, Yuxin WANG

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 297-302 doi: 10.1007/s11705-011-1201-1

摘要： A lattice model of the nanoscaled catalyst layer structure in proton exchange membrane fuel cells (PEMFC) was established by Monte Carlo method. The model takes into account all the four components in a typical PEMFC catalyst layer: platinum (Pt), carbon, ionomer and pore. The elemental voxels in the lattice were set fine enough so that each average sized Pt particulate in Pt/C catalyst can be represented. Catalyst utilization in the modeled catalyst layer was calculated by counting up the number of facets of Pt voxels where “three phase contact” are met. The effects of some factors, including porosity, ionomer content, Pt/C particle size and Pt weight percentage in the Pt/C catalyst, on catalyst utilization were investigated and discussed.

关键词： catalyst layer     PEM fuel cell     lattice model     Monte Carlo method     catalyst utilization    

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Monte Carlo simulation of the PEMFC catalyst layer

WANG Hongxing, CAO Pengzhen, WANG Yuxin

《化学科学与工程前沿（英文）》 2007年 第1卷 第2期   页码 146-150 doi: 10.1007/s11705-007-0027-3

摘要： The performance of the polymer electrolyte membrane fuel cell (PEMFC) is greatly controlled by the structure of the catalyst layer. Low catalyst utilization is still a significant obstacle to the commercialization of the PEMFC. In order to get a fundamental understanding of the electrode structure and to find the limiting factor in the low catalyst utilization, it is necessary to develop the mechanical model on the effect of catalyst layer structure on the catalyst utilization and the performance of the PEMFC. In this work, the structure of the catalyst layer is studied based on the lattice model with the Monte Carlo simulation. The model can predict the effects of some catalyst layer components, such as Pt/C catalyst, electrolyte and gas pores, on the utilization of the catalyst and the cell performance. The simulation result shows that the aggregation of conduction grains can greatly affect the degree of catalyst utilization. The better the dispersion of the conduction grains, the larger the total effective area of the catalyst is. To achieve higher utilization, catalyst layer components must be distributed by means of engineered design, which can prevent aggregation.

关键词： catalyst utilization     PEMFC     commercialization     Pt/C catalyst     conduction    

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Methodologies for chemical utilization of CO

Liangnian HE, Ya Du, Chengxia MIAO, Jinquan WANG, Xiaoyong DOU, Ying WU

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 224-228 doi: 10.1007/s11705-009-0067-y

摘要： The reactions of CO with oxirane to produce cyclic carbonate, and with aziridine to afford oxazolidine have been of interest as a useful method for its fixation by a chemical process. Highly efficient processesemploying recyclable CO -phlilic homogeneous catalyst were devised for environmentally benign synthesis of cyclic carbonates and oxazolidinones under supercritical CO without any organic solvent. These processes represent pathways for greener chemical fixations of CO to afford industrial useful materials such as organic carbonates and oxazolidinones with great potential applications.

关键词： carbon dioxide     chemical utilization     molecular catalyst     carbonate     oxazolidinone    

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Precise regulation of acid pretreatment for red mud SCR catalyst: Targeting on optimizing the acidity

《环境科学与工程前沿（英文）》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1447-x

摘要：

• The optimum SCR activity was realized by tuning the acid pretreatment.

关键词： Air pollution control     Nitrogen oxides     Selective catalytic reduction     Red mud     Solid waste utilization    

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Development and application of ex-situ presulfurization technology for hydrotreating catalysts in China

Yulan GAO, Xiangchen FANG, Zhenmin CHENG

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 287-296 doi: 10.1007/s11705-010-0529-2

摘要： The development and application of ex-situ presulfurization (EPRES) technology for hydrotreating catalysts has been reviewed in the present article. The studies in laboratory scale and commercial practice indicated that the adoption of the EPRES catalyst in industrial application can significantly enhance the degree of presulfurization of metal oxide components, shorten the start-up period, and effectively reduce the environmental impact as well as the danger of start-up procedure in industrial hydrotreating unit. This catalyst has been proved to be versatile for different types of hydrogenation reactions. Different types of active site models are also discussed for better understanding the nature of presulfurized catalysts.

关键词： ex-situ presulfurization     in situ presulfurization     hydrotreating catalyst     sulfur utilization ratio    

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Oxidant or catalyst for oxidation?

Jianzhi Huang, Huichun Zhang

《环境科学与工程前沿（英文）》 2019年 第13卷 第5期 doi: 10.1007/s11783-019-1158-8

摘要： Manganese oxides (MnOx) have been demonstrated to be effective materials to activate Oxone (i.e., PMS) to degrade various contaminants. However, the contribution of direct oxidation by MnOx to the total contaminant degradation under acidic conditions was often neglected in the published work, which has resulted in different and even conflicting interpretations of the reaction mechanisms. Here, the role of MnOx (as both oxidants and catalysts) in the activation of Oxone was briefly discussed. The findings offered new insights into the reaction mechanisms in PMS-MnOx and provided a more accurate approach to examine contaminant degradation for water/wastewater treatment.

关键词： Peroxymonosulfate     Manganese oxides     Catalyst     Oxidant    

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Advanced purification and comprehensive utilization of yellow phosphorous off gas

Ping NING,Xiangyu WANG

《环境科学与工程前沿（英文）》 2015年 第9卷 第2期   页码 181-189 doi: 10.1007/s11783-014-0698-1

摘要： Yellow phosphorous is an important raw material in the chemical industry. However, during the production of yellow phosphorous, high concentrations of carbon monoxide and other impurities are released. Without appropriate purification and removal, this off gas has potential to cause severe pollution problems once released. Purified yellow phosphorous off gas can be beneficially reused as a raw material in chemical production for synthesis of high value-added chemical reagents. In this paper, the significance of purification and reutilization of yellow phosphorous off gas are explored. The principles, processes, and main characteristics of the technologies for purification and reuse of yellow phosphorus off gas (including technical measurements of impurity reduction, relevant engineering cases, and public acceptance of the technologies) are summarized. In view of the existing problems and scientific development requirements, this paper proposes several recommendations for green production based on the concept of recycle economics. We conclude that advanced purification and comprehensive reutilization can be an effective solution for heavy pollution resulting from yellow phosphorous off gassing.

关键词： yellow phosphorous off gas     purification     comprehensive utilization    

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Dendritic BiVO4 decorated with MnOx co-catalyst as an efficient hierarchical catalyst for photocatalytic

Jin Yang, Xuelian Liu, Hongbin Cao, Yanchun Shi, Yongbing Xie, Jiadong Xiao

《化学科学与工程前沿（英文）》 2019年 第13卷 第1期   页码 185-191 doi: 10.1007/s11705-018-1713-z

摘要： An appropriate co-catalyst can significantly promote the photocatalytic efficacy, but this has been seldom studied in the visible-light photocatalysis combined with ozone, namely photocatalytic ozonation. In this work, a dendritic bismuth vanadium tetraoxide (BiVO ) material composited with highly dispersed MnO nanoparticles was synthesized, and its catalytic activity is 86.6% higher than bare BiVO in a visible light and ozone combined process. Catalytic ozonation experiments, ultra-violet-visible (UV-Vis) diffuse reflectance spectra and photoluminescence spectra jointly indicate that MnO plays a triple role in this process. MnO strengthens the light adsorption and promotes the charge separation on the composite material, and it also shows good activity in catalytic ozonation. The key reactive species in this process is ·OH, and various pathways for its generation in this process is proposed. This work provides a new direction of catalyst preparation and pushes forward the application of photocatalytic ozonation in water treatment.

关键词： manganese oxide     bismuth vanadium tetraoxide     photocatalytic ozonation     hydroxyl radical     co-catalyst    

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Insight into the promotion mechanism of activated carbon on the monolithic honeycomb red mud catalyst

《环境科学与工程前沿（英文）》 2021年 第15卷 第5期 doi: 10.1007/s11783-020-1337-7

摘要：

• Activated carbon was proposed to be an efficient accelerant for molded red mud catalyst.

关键词： NOx     Selective catalytic reduction     Iron-based catalyst     Red mud     Monolithic catalyst     Activated carbon    

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Direct synthesis of diphenyl carbonate over heterogeneous catalyst: effects of structure of substitutedperovskite carrier on the catalyst activities

WU Guangwen, JIN Fang, WU Yuxin, ZHANG Guangxu, LI Dinghuo, WANG Cunwen, MA Peisheng

《化学科学与工程前沿（英文）》 2007年 第1卷 第1期   页码 59-64 doi: 10.1007/s11705-007-0012-x

摘要： The perovskite-type compound LaMnO was substituted for the part of La in position A and for the part of Mn in position B by citrate method. The phases were detected by X-ray diffraction. Powder morphologies were scanned by scanning electron microscopy. The valence of atoms was determined by X-ray photoelectron spectroscopy. It was found that the perovskite can form crystal defect and increase the proportion of high valence B element by doping. Active component Pd was loaded on various perovskite supports for synthesis of diphenyl carbonate. The results showed that the activities of catalysts in which supports have crystal defect by substitution were higher. It can be concluded that perovskite with defect structure by doping could lead to the formation of oxygen vacancy where the lattice oxygen became exchangeable with the oxygen gas. Also, this improved the redox process of the carrier by transferring electrons and activities of catalysts.

关键词： photoelectron spectroscopy     diphenyl carbonate     proportion     diffraction     perovskite    

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CROP PROTECTION OPENS UP NEW ERA OF CONSERVATION AND UTILIZATION OF GREEN OPTIONS

《农业科学与工程前沿（英文）》 2022年 第9卷 第1期   页码 1-3 doi: 10.15302/J-FASE-2021431

摘要：

China is the largest agricultural producer in the world. Reducing yield losses caused by pests is an important issue and major challenge for China, especially when confronting global climate change, biological invasions and declining agricultural biodiversity of recent decades. Wang et al. (this issue) summarized the impacts of changing climate on two staple crops in China, wheat and rice (https://doi.org/FASE-2021432). They reviewed the impacts of climate change on crops, crop pests and crop diseases. Basically, increased temperature would reduce crop yields and increase pest damage. Biological invasions have become a serious threat to the agriculture worldwide. Developing approaches for monitoring and controlling invasive pests, such as fall armyworm, has been recognized as high priority for China. The excessive use of highly toxic pesticides has caused considerable damage to the environment and biodiversity, which is also one of the many contributors to the increasing outbreaks of pests and diseases. In addition, understanding interaction between crop pests and plant diseases is another critical challenge for agriculture. About 80% plant viruses can be transmitted by crop pest vectors such as aphids, whiteflies and other hemipteran pests. Therefore, to solve the problem of crop pests and diseases, suitable green crop protection methods have been identified as a key components of sustainable development. This special issue of Frontiers of Agricultural Science and Engineering outlines potential conservation and utilization of green options for crop protection.

To prevent outbreaks of crop pests, an advanced monitoring and early warning system could be the first step in crop protection. The use of science and technology in monitoring and early warning of major crop pests provides better pest management and acts as a fundamental part of an integrated plant protection strategy to achieve the goal of sustainable development of agriculture. Wu et al. (this issue) summarized the fundamental information on pest monitoring and early warning in China by documenting the history of research and application, Chinese laws and regulations related to plant protection, and the National Monitoring and Early Warning System, with the purpose of presenting the Chinese model as an example of how to promote regional management of crop pests, especially cross border pests such as fall armyworm and locust, by international cooperation across pest-impacted countries (https://doi.org/10.15302/J-FASE-2021411). They provide an overview of long-term Chinese efforts in the fight against major pests and to present the country’s experience in crop pest monitoring and early warning technology to the world.

Field management is a traditional conservation agriculture technique on plant protection such as no-till cropping, crop rotation, intercropping and cover cropping. Shi et al. (this issue) found that soil solarization is an environmental-friendly promising strategy that achieved complete mortality to the larvae of Bradysia cellarum (https://doi.org/10.15302/J-FASE-2021402). Crop rotation, intercropping and cover cropping of different crops or plants could help to reduce the outbreak of crop pests and diseases. Wang et al. (this issue) summarized the interactions and trade-offs between plants and entomophagous arthropods, and discussed a landscape management method by sowing flowering plants in agricultural fields (https://doi.org/10.15302/J-FASE-2021427). However, such methods are limited when crop pests have already become well established in crop fields.

Pesticides are widely used in the crop protection. The ideal pesticide should have high effectiveness in the control crop pests but low toxicity to non-target organisms. In this case, biopesticides including biochemical pesticides, microbial pesticides and plant-incorporated protectants are considered to be potential ideal pesticides for crop protection. Biochemical pesticides are the naturally occurring substances, they are derived from animals, plants and microorganisms. Microbial pesticides mainly rely on bacteria, fungi, virus or protozoans as the active agent. They are environment-friendly biopesticides with high effectiveness and species-specificity, and have been commercialized worldwide, for example, Bacillus thuringiensis. Plant-incorporated protectants are products that are genetically incorporated into plant tissues including chemicals, proteins or dsRNA for pest control or anti-microbial activity. Qu et al. (this issue) systematically introduced bioinsecticides for pest control and discussed current constraints that prevent bioinsecticides from being widely used and proposed the future research directions in this issue (https://doi.org/10.15302/J-FASE-2021404). Xu et al. (this issue) optimized synthesis process of an anti-plant-virus candidate drug NK0238, and evaluated the antivirus activity and environmental safety of this product (https://doi.org/10.15302/J-FASE-2021390). Zhu et al. (this issue) investigated a new family of natural cyclic lipodepsipeptides with potent activity against Gram-positive bacteria. By genetic manipulation of accessory genes in the WAP biosynthetic gene cluster, new WAP-8294As were produced in Lysobacter, which confirmed the possibility to expand the spectrum of the biocontrol compounds (https://doi.org/10.15302/J-FASE-2021410). In addition, structural biology studies on action targets provides important insights on molecular functions. Using a structure-based drug design strategy, Zheng et al. (this issue) prepared a battery of novel triketone-quinoxaline compounds, which could be potentially applied to design new herbicides targeting p-hydroxyphenylpyruvate dioxygenase (https://doi.org/10.15302/J-FASE-2021401).

With the development and application of new biotechnology in agriculture, opportunities for crop protection are great becoming more abundant, opening new approaches, such as genetic engineering, to improve the plant resistance against crop pests and diseases. It is now feasible to control pests by directly targeting genes that are essential for the development and survival of insects and pathogenic microorganisms, for example, the sterile insect technique based on gene-drive and RNA interference using dsRNA. In addition, it has been confirmed that some gene families are effective targets that indirectly contribute to crop pests and diseases protection by targeting the plant biochemical synthesis or virus transmitting pathways. In this case, identifying new genes associated with the interaction between crops, insects, microorganisms should be a key focus, both now and in the future. Huang et al. (this issue) summarized the recent research on the interaction between plant viruses and insect vectors, and discussed the potential control strategies to prevent the transmission of insect-vectored plant viruses using RNAi technology, gene editing technology and gene-driven technology (https://doi.org/10.15302/J-FASE-2021389).

We anticipate that the ideas and approaches highlighted in this issue will help broaden reader’s perspectives on every increasing prospect for a new era of sustainable and environment-friendly agricultural pest management.

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Pd nano-catalyst supported on biowaste-derived porous nanofibrous carbon microspheres for efficient catalysis

《化学科学与工程前沿（英文）》 2023年 第17卷 第9期   页码 1289-1300 doi: 10.1007/s11705-023-2299-7

摘要： Environmental pollution caused by the presence of aromatic aldehydes and dyes in wastewater is a serious global concern. An effective strategy for the removal of these pollutants is their catalytic conversion, possibly to valuable compounds. Therefore, the design of efficient, stable and long-lifetime catalysts is a worthwhile research goal. Herein, we used nanofibrous carbon microspheres (NCM) derived from the carbohydrate chitin present in seafood waste, and characterized by interconnected nanofibrous networks and N/O-containing groups, as carriers for the manufacture of a highly dispersed, efficient and stable Pd nano-catalyst (mean diameter ca. 2.52 nm). Importantly, the carbonised chitin’s graphitized structure, defect presence and large surface area could promote the transport of electrons between NCM and Pd, thereby endowing NCM supported Pd catalyst with high catalytic activity. The NCM supported Pd catalyst was employed in the degradation of some representative dyes and the chemoselective hydrogenation of aromatic aldehydes; this species exhibited excellent catalytic activity and stability, as well as applicability to a broad range of aromatic aldehydes, suggesting its potential use in green industrial catalysis.

关键词： biowaste chitin     nanofibrous     palladium     nano-catalyst     catalysis    

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Advanced materials: adsorbent and catalyst for environmental application

Junhua LI, Shubo DENG

《环境科学与工程前沿（英文）》 2013年 第7卷 第3期   页码 301-301 doi: 10.1007/s11783-013-0529-9

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Recent development of vibration utilization engineering

WEN Bangchun

《机械工程前沿（英文）》 2008年 第3卷 第1期   页码 1-9 doi: 10.1007/s11465-008-0017-2

摘要： The utilization of vibration and wave, which was developed during the latter half of the 20th century, is one of the most valueable technology applications and has been rapidly developing recently . Because the technique is closely associated with industry and agriculture, it can create huge social and economical benefits and provide excellent services for society. Thus, due to its necessity in industry and daily life, extensive research has been devoted to vibration utillization engineering. In this paper, vibration utilization is classified into linear or non-linear vibrations, waves, and electric-magnetic oscillations. Their phenomena, patterns, and applications in nature and society are introduced. Some research results about vibration utilization engineering are described.

关键词： utilization engineering     non-linear     vibration     vibration utillization     utillization engineering    

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Ni-Co bimetallic catalyst for CH

Xiaohong LI, Jun AI, Wenying LI, Dongxiong LI

《化学科学与工程前沿（英文）》 2010年 第4卷 第4期   页码 476-480 doi: 10.1007/s11705-010-0512-y

摘要： A co-precipitation method was employed to prepare Ni/Al O -ZrO , Co/Al O -ZrO and Ni-Co/Al O -ZrO catalysts. Their properties were characterized by N adsorption (BET), thermogravimetric analysis TGA , temperature-programmed reduction (TPR), temperature-programmed desorption (CO -TPD), and temperature-programmed surface reaction (CH -TPSR and CO -TPSR). Ni-Co/Al O -ZrO bimetallic catalyst has good performance in the reduction of active components Ni, Co and CO adsorption. Compared with mono-metallic catalyst, bimetallic catalyst could provide more active sites and CO adsorption sites (C+ CO = 2CO) for the methane-reforming reaction, and a more appropriate force formed between active components and composite support (SMSI) for the catalytic reaction. According to the CH -CO -TPSR, there were 80.9% and 81.5% higher CH and CO conversion over Ni-Co/Al O -ZrO catalyst, and its better resistance to carbon deposition, less than 0.5% of coke after 4 h reaction, was found by TGA. The high activity and excellent anti-coking of the Ni-Co/Al O -ZrO catalyst were closely related to the synergy between Ni and Co active metal, the strong metal-support interaction and the use of composite support.

关键词： Ni-Co bimetallic catalyst     composite support     CH4 reforming with CO2    

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标题 作者 时间 类型 操作

Modeling nanostructured catalyst layer in PEMFC and catalyst utilization

Jiejing ZHANG, Pengzhen CAO, Li XU, Yuxin WANG

期刊论文

Monte Carlo simulation of the PEMFC catalyst layer

WANG Hongxing, CAO Pengzhen, WANG Yuxin

期刊论文

Methodologies for chemical utilization of CO

Liangnian HE, Ya Du, Chengxia MIAO, Jinquan WANG, Xiaoyong DOU, Ying WU

期刊论文

Precise regulation of acid pretreatment for red mud SCR catalyst: Targeting on optimizing the acidity

期刊论文

Development and application of ex-situ presulfurization technology for hydrotreating catalysts in China

Yulan GAO, Xiangchen FANG, Zhenmin CHENG

期刊论文

Oxidant or catalyst for oxidation?

Jianzhi Huang, Huichun Zhang

期刊论文

Advanced purification and comprehensive utilization of yellow phosphorous off gas

Ping NING,Xiangyu WANG

期刊论文

Dendritic BiVO4 decorated with MnOx co-catalyst as an efficient hierarchical catalyst for photocatalytic

Jin Yang, Xuelian Liu, Hongbin Cao, Yanchun Shi, Yongbing Xie, Jiadong Xiao

期刊论文

Insight into the promotion mechanism of activated carbon on the monolithic honeycomb red mud catalyst

期刊论文

Direct synthesis of diphenyl carbonate over heterogeneous catalyst: effects of structure of substitutedperovskite carrier on the catalyst activities

WU Guangwen, JIN Fang, WU Yuxin, ZHANG Guangxu, LI Dinghuo, WANG Cunwen, MA Peisheng

期刊论文

CROP PROTECTION OPENS UP NEW ERA OF CONSERVATION AND UTILIZATION OF GREEN OPTIONS

期刊论文

Pd nano-catalyst supported on biowaste-derived porous nanofibrous carbon microspheres for efficient catalysis

期刊论文

Advanced materials: adsorbent and catalyst for environmental application

Junhua LI, Shubo DENG

期刊论文

Recent development of vibration utilization engineering

WEN Bangchun

期刊论文

Ni-Co bimetallic catalyst for CH

Xiaohong LI, Jun AI, Wenying LI, Dongxiong LI

期刊论文