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Selective Hydrodeoxygenation of Lignin-Derived Vanillin via Hetero-Structured High-Entropy Alloy/Oxide Catalysts

Energy & Environmental Materials 2024年第3期7卷 206-214页

作者： Yan Sun Kaili Liang Ren Tu Xudong Fan charles q.jia Zhiwen jia Yingnan Li Hui Yang Enchen jiang Hanwen Liu Yonggang Yao Xiwei Xu Key Laboratory for Biobased Materials and Energy of Ministry of Education College of Materials and EnergySouth China Agricultural University Department of Chemical Engineering and Applied Chemistry University of Toronto State Key Laboratory of Materials Processing and Die & Mould Technology School of Materials Science and EngineeringHuazhong University of Science and Technology

The chemoselective hydrodeoxygenation of natural lignocellulosic materials plays a crucial role in converting biomass into value-added *** their complex molecular structures often require multiple active sites synergy for effective activation and achieving high ***,it is reported that a high-entropy alloy (HEA) on high-entropy oxide (HEO)hetero-structured catalyst for highly active,chemoselective,and robust vanillin *** heterogenous HEA/HEO catalysts were prepared by thermal reduction of senary HEOs (NiZnCuFeAIZrOx),where exsolvable metals (e.g.,Ni,Zn,Cu) in situ emerged and formed randomly dispersed HEA nanoparticles anchoring on the HEO *** catalyst exhibits excellent catalytic performance:100%conversion of vanillin and 95%selectivity toward high-value 2-methyl-4 methoxy phenol at low temperature of 120℃,which were attributed to the synergistic effect among HEO matrix(with abundant oxygen vacancies),anchored HEA nanoparticles (having excellent hydrogenolysis capability),and their intimate hetero-interfaces(showing strong electron transferring effect).Therefore,our work reported the successful construction of HEA/HEO heterogeneous catalysts and their superior multifunctionality in biomass conversion,which could shed light on catalyst design for many important reactions that are complex and require multifunctional active sites.

关键词： biomass conversion heterogeneous catalysts high-entropy oxide high-entropy alloys lignin pyrolysis

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A new approach to quantifying vehicle induced turbulence for complex traffic scenarios

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Chinese Journal of Chemical Engineering 2016年第1期24卷 71-78页

作者： Yesul Kim Li Huang Sunling Gong charles q.jia Department of Chemical Engineering and Applied Chemistry University of Toronto200 College Street Toronto ON MSS 3E5 Canada Air quality Research Division Environment CanadaTorontoON M3H 5T4 Canada

Traffic-related pollutants adversely affect air quality, especially in regions near major roadways. The vehicleinduced turbulence(VIT) is a significant factor that controls the initial dilution, dispersion, and ultimately the chemical and physical fate of pollutants by altering the conditions in the microenvironment. This study used a computational fluid dynamics(CFD) software FLUENT to model the vehicle-induced turbulence(VIT) generated on roadways, with a focus on impact of vehicle-vehicle interactions, traffic density and vehicle composition on turbulent kinetic energy(TKE). We show, for the first time, that the overall TKE from multiple vehicles traveling in series can be estimated by superimposing the TKE of each vehicle, without considering the distance between them while the distance is greater than one vehicle length. This finding is particularly significant since it enables a new approach to VIT simulations where the overall TKE is calculated as a function of number of vehicles. We found that the interactions between vehicles traveling next to each other in adjacent lanes are insignificant,regardless the directions of the traffic flow. Consequently, simulations of different traffic scenarios can be substantially simplified by treating two-way traffic as one-way traffic, with less than 5% difference in the overall volume-averaged TKE. We also developed equations that allow the estimation of the overall volume-averaged TKE as a function of the number and the type of vehicles.

关键词： Computational fluid dynamics Turbulent kinetic energy Vehicle-induced turbulence Road-induced turbulence Mixed traffic

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三峡库区水华优势藻类生长动力学的普适性研究

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环境科学 2008年第8期29卷 2143-2148页

作者：刘信安封丽 charles q.jia 重庆大学化学化工学院重庆400044 Chemical Engineering & Applied Chemistry College University of Toronto

从蓝绿藻中选取绿藻门的普通小球藻（Chlorella vulgaris,CV藻）为研究对象,应用Monod方程考察氮、磷营养盐对CV藻生长的影响,分别计算出CV藻对TP、TN的半饱和常数KSP和KSN.结果表明KSN〉〉KSP,说明TP对CV藻生长的影响明显大于***藻生... 详细信息

从蓝绿藻中选取绿藻门的普通小球藻（Chlorella vulgaris,CV藻）为研究对象,应用Monod方程考察氮、磷营养盐对CV藻生长的影响,分别计算出CV藻对TP、TN的半饱和常数KSP和KSN.结果表明KSN〉〉KSP,说明TP对CV藻生长的影响明显大于***藻生长速率对磷质量浓度反应很灵敏：与空白值相比,在0.002 mg·L^-1的低浓度下μ就有提高,而浓度到0.2 mg·L^-1时,μ明显增大;但在0.000-0.050 mg·L^-1氮浓度范围内μ几乎没有变化.通过系统比较CV藻与优势蓝绿藻,甚至海水藻的生长动力学特征,探讨了CV藻与其它蓝绿藻的动力学普适性和共同性,证实这些藻类都具有非常类似的生长动力学和生态学特征.因此,推测CV藻生长动力学模型可以从整体上反映和代表库区优势蓝绿藻的生长行为.同时分析和归纳了蓝绿藻生长模型的相似性和规律性,得出三峡库区优势藻类生长行为存在普遍一致性的初步结论.

关键词：三峡库区普通小球藻氮磷优势藻生长动力学共性

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Electrical conductivity of wood biochar monoliths and its dependence on pyrolysis temperature

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Biochar 2020年第3期2卷 369-378页

作者： Randeep Gabhi Luca Basile Donald W.Kirk Mauro Giorcelli Alberto Tagliaferro charles q.jia Department of Chemical Engineering and Applied Chemistry University of Toronto200 College StreetTorontoON M5S 3E5Canada Department of Applied Science and Technologies Politecnico di TorinoC.so Duca Degli AbruzziTurin 10129Italy

Biochar is traditionally used as solid fuel and for soil amendment where its electrical conductivity is largely irrelevant and ***,electrical conductivity is critical to biochar’s performance in new applications such as supercapacitor energy storage and capacitive deionization of *** this study,sugar maple and white pine were carbonized via a slow pyrolysis process at 600,800 and 1000°C and conductivities of monolithic biochar samples along the radial direction were measured using the 4-probe *** were characterized using an elemental analyzer,scanning electron microscopy,X-ray diffraction and Raman *** solid carbon in biochar samples was found to consist primarily of disordered carbon atoms with small graphitic nanocrystallites that grow with increasing *** bulk conductivity of biochar was found to increase with pyrolysis temperature-1 to~1000 S/m for maple and 1 to~350 S/m for pine,which was accompanied by an increase in carbon content-91 to 97 wt%and 90 to 96 wt%for maple and pine,*** skeletal conductivity of biochar samples carbonized at 1000°C is about 3300 S/m and 2300 S/m for maple and pine,respectively(assuming solid carbon is amorphous);both values are above that of amorphous carbon(1250-2000 S/m).This work demonstrated the importance of carbonization and graphitization to electrical conductivity and suggested electron hopping as a likely mechanism for electric conduction in biochar-an amorphous carbon matrix embedded with graphitic nanocrystallites.

关键词： Biochar Electrical conductivity Pyrolysis temperature Graphitization

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三峡水域重金属化学污染归趋行为的多介质等量浓度计算模型

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计算机与应用化学 2004年第2期21卷 299-304页

作者：刘信安吴昊 charles q.jia 重庆大学化学化工学院重庆400044 多伦多大学化工及应用化学系

介绍多介质等量浓度计算模型的基本理论、应用特点及研究领域,运用等量浓度的平衡判据讨论了水环境中重金属污染的演化过程、扩散机制和界面行为,多介质等量浓度计算模型能够适用于研究和描述水域环境中重金属污染物的分配、迁移和转变... 详细信息

介绍多介质等量浓度计算模型的基本理论、应用特点及研究领域,运用等量浓度的平衡判据讨论了水环境中重金属污染的演化过程、扩散机制和界面行为,多介质等量浓度计算模型能够适用于研究和描述水域环境中重金属污染物的分配、迁移和转变性态,本文在此基础上为适应三峡流域水体环境,改进了多介质等量浓度模型和算法,进行了模型的参数敏感度分析和界面传输速率计算。

关键词：多介质等量浓度计算模型重金属污染水体污染化学归趋行为三峡水库

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模拟消落带水华暴发行为的数值沙堆模型

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环境科学学报 2006年第7期26卷 1126-1134页

作者：刘信安张毅力 charles q.jia 重庆大学化学化工学院 Chemical Engineering & Applied Chemistry College University of Toronto CanadaM5S3E5

以长江最大支流汉江近年来水华污染的现场资料为例,通过氮磷浓度、水温、流速和光照等实测数据构建了消落带开放水域环境体系的数值沙堆模型,描述了藻类生长及水华暴发的动力学机制;利用数值沙堆系统崩塌行为反映出的频率-尺度幂律关系... 详细信息

以长江最大支流汉江近年来水华污染的现场资料为例,通过氮磷浓度、水温、流速和光照等实测数据构建了消落带开放水域环境体系的数值沙堆模型,描述了藻类生长及水华暴发的动力学机制;利用数值沙堆系统崩塌行为反映出的频率-尺度幂律关系作为判断消落带水域是否暴发水华以及规模大小的依据,采用有限尺度标度分析从不同侧面验证了水华暴发系统的自组织临界性,并揭示出各种拟合参数与水华暴发规模之间的定量关系.研究表明,沙堆模型如果存在良好的幂律关系,相应的消落带水域将暴发水华,且幂律指数越大,水华污染程度越严重.

关键词：数值沙堆模型自组织临界性消落带水域水华暴发

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湖泊和水库中甲基汞行为的多介质模型研究

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环境科学与技术 2004年第6期27卷 9-11,54页

作者：刘信安吴昊 charles q.jia 重庆大学化学化工学院重庆400044 多伦多大学化工及应用化学系

以qWASI模型为例 ,简介了多介质环境数学模型 ,并运用模型对氯化甲基汞的行为进行了研究。计算结果表明 ,在环境条件满足一定要求的情况下 ,空气是水体中污染物的主要来源相 ,与文献报道一致。证实了多介质环境模型在湖泊和水库体系汞... 详细信息

以qWASI模型为例 ,简介了多介质环境数学模型 ,并运用模型对氯化甲基汞的行为进行了研究。计算结果表明 ,在环境条件满足一定要求的情况下 ,空气是水体中污染物的主要来源相 ,与文献报道一致。证实了多介质环境模型在湖泊和水库体系汞行为模拟中的适用性。通过对多个模型输入参数进行敏感度分析 ,发现污染物在空气中的背景浓度、水体流域面积、水中溶解度、年降雨量等较为重要。针对现有qWASI模型研究水体中汞行为的局限。

关键词：甲基汞多介质环境模型化学归趋湖泊水库

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Electromagnetic Performance Analysis of Variable Flux Memory Machines with Series-magnetic-circuit and Different Rotor Topologies

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CES Transactions on Electrical Machines and Systems 2024年第1期8卷 3-11页

作者： qiang Wei Z.q.Zhu Yan jia jianghua Feng Shuying Guo Yifeng Li Shouzhi Feng Department of Electronic and Electrical Engineering The University of SheffieldSheffield S13JDU.K. IEEE the CRRC Zhuzhou Institute Company Ltd. Zhuzhou 412001China

In this paper,the electromagnetic performance of variable flux memory(VFM)machines with series-magnetic-circuit is investigated and compared for different rotor *** on a V-type VFM machine,five topologies with different interior permanent magnet(IPM)arrangements are evolved and optimized under same *** on two-dimensional(2-D)finite element(FE)method,their electromagnetic performance at magnetization and demagnetization states is *** reveals that the iron bridge and rotor lamination region between constant PM(CPM)and variable PM(VPM)play an important role in torque density and flux regulation(FR)***,the global efficiency can be improved in VFM machines by adjusting magnetization state(MS)under different operating conditions.

关键词： Memory machine Permanent magnet Rotor topologies Series magnetic circuit Variable flux

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Prediction of Porous Media Fluid Flow with Spatial Heterogeneity Using Criss-Cross Physics-Informed Convolutional Neural Networks

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Computer Modeling in Engineering & Sciences 2024年第2期138卷 1323-1340页

作者： jiangxia Han Liang Xue Ying jia Mpoki Sam Mwasamwasa Felix Nanguka charles Sangweni Hailong Liu qian Li State Key Laboratory of Petroleum Resources and Prospecting China University of PetroleumBeijing102249China Department of Oil-Gas Field Development Engineering College of Petroleum EngineeringChina University of PetroleumBeijing102249China Exploration Production Research Institute SinopecBeijing102249China Ministry of Energy Tanzania Petroleum Development CorporationTowerDar es Salaam2774Tanzania Ministry of Energy Building Petroleum Upstream Regulatory Authority in Tanzania(PURA)Dar es Salaam11439Tanzania

Recent advances in deep neural networks have shed new light on physics,engineering,and scientific *** the data-centered viewpoint with physical simulation is one of the research *** physicsinformedneural network(PINN)is currently the most general framework,which is more popular due to theconvenience of constructing NNs and excellent generalization *** automatic differentiation(AD)-basedPINN model is suitable for the homogeneous scientific problem;however,it is unclear how AD can enforce fluxcontinuity across boundaries between cells of different properties where spatial heterogeneity is represented bygrid cells with different physical *** this work,we propose a criss-cross physics-informed convolutionalneural network(CC-PINN)learning architecture,aiming to learn the solution of parametric PDEs with spatialheterogeneity of physical *** achieve the seamless enforcement of flux continuity and integration ofphysicalmeaning into CNN,a predefined 2D convolutional layer is proposed to accurately express transmissibilitybetween adjacent *** efficacy of the proposedmethodwas evaluated through predictions of several petroleumreservoir problems with spatial heterogeneity and compared against state-of-the-art(PINN)through numericalanalysis as a benchmark,which demonstrated the superiority of the proposed method over the PINN.

关键词： Physical-informed neural networks(PINN) flow in porous media convolutional neural networks spatial heterogeneity machine learning

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Multiphase Interfacial Regulation Based on Hierarchical Porous Molybdenum Selenide to Build Anticorrosive and Multiband Tailorable Absorbers

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Nano-Micro Letters 2024年第1期16卷 85-105页

作者： Tianbao Zhao Zirui jia Jinkun Liu Yan Zhang Guanglei Wu Pengfei Yin College of Science Sichuan Agricultural UniversityYa’an 625014People’s Republic of China Institute of Materials for Energy and Environment State Key Laboratory of Bio‑Fibers and Eco‑TextilesCollege of Materials Science and EngineeringQingdao UniversityQingdao 266071People’s Republic of China College of Chemistry and Chemical Engineering Qingdao UniversityQingdao 266071People’s Republic of China

Electromagnetic wave(EMW)absorbing materials have an irreplaceable position in the field of military stealth as well as in the field of electromagnetic pollution *** in order to cope with the complex electromagnetic environment,the design of multifunctional and multiband high efficiency EMW absorbers remains a tremendous *** this work,we designed a three-dimensional porous structure via the salt melt synthesis strategy to optimize the impedance matching of the ***,through interfacial engineering,a molybdenum carbide transition layer was introduced between the molybdenum selenide nanoparticles and the three-dimensional porous carbon matrix to improve the absorption behavior of the *** analysis indicates that the number and components of the heterogeneous interfaces have a significant impact on the EMW absorption performance of the absorber due to mechanisms such as interfacial polarization and conduction loss introduced by interfacial ***,the prepared MoSe_(2)/MoC/PNC composites showed excellent EMW absorption performance in C,X,and Ku bands,especially exhibiting a reflection loss of−59.09 dB and an effective absorption bandwidth of 6.96 GHz at 1.9 *** coordination between structure and components endows the absorber with strong absorption,broad bandwidth,thin thickness,and multi-frequency absorption ***,it can effectively reinforce the marine anticorrosion property of the epoxy resin coating on q235 steel *** study contributes to a deeper understanding of the relationship between interfacial engineering and the performance of EMW absorbers,and provides a reference for the design of multifunctional,multiband EMW absorption materials.

关键词： Interfacial engineering Anticorrosion Multiband Electromagnetic wave absorber

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