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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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乙醇-空气混合气预混层流燃烧研究

乙醇-空气混合气预混层流燃烧研究

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2012年中国特种发动机工程及应用学术年会

作者： Zhang Zhiyuan 张志远 Huang Zuohua 黄佐华 Han Shu 韩树 Ma Xiangping 马向平 Huang Jun 黄军 Department of Mechanical Engineering Academy of Armored Forces Engineering Beijing 100072 装甲兵工程学院机械工程系北京 100072 State Key Laboratory of Muhiphase Flow in Power Engineering Xi'an Jiaotong University Shanxi Xi 'a 西安交通大学动力工程多相流国家重点实验室陕西西安 710049

利用定容燃烧弹研究了不同初始压力、初始温度、气体稀释度和燃空当量比下乙醇-空气-稀释气预混层流燃烧特性.结果表明：对于给定初始压力和温度，乙醇-空气预混合气的质量燃烧率、燃烧压力和温度的最大值均出现在当量比1.1左右，而火... 详细信息

利用定容燃烧弹研究了不同初始压力、初始温度、气体稀释度和燃空当量比下乙醇-空气-稀释气预混层流燃烧特性.结果表明：对于给定初始压力和温度，乙醇-空气预混合气的质量燃烧率、燃烧压力和温度的最大值均出现在当量比1.1左右，而火焰发展期和燃烧期在此当量比下最短，火焰发展期、燃烧期和燃烧压力峰值随初始温度的增加而减小，最高燃烧温度随初始温度的增加而增加，燃烧压力峰值和最高燃烧温度随初始压力的增加而增加，火焰发展期和燃烧期随稀释度的增加而增加，而燃烧压力峰值和最高燃烧温度随稀释度的增加而降低.

关键词：燃烧系统燃料乙醇混合气体温度控制

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Calcined [email protected] @Rh x Ni 1- x : A novel hierarchically oriented composition tunable catalyst for green and sustainable hydrogen generation

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Journal of Environmental Chemical engineering 2022年第3期10卷

作者： Yasir Abbas Zareen Zuhra Sahresh Majeed Muhammad Shuaib Khan Majid Basharat Deependra Tyagi Shafqat Ali Zhanpeng Wu Zhaojun Liu Department of Electrical and Electronic Engineering Southern University of Science and Technology 1088 Xueyuan Blvd Nanshan District Shenzhen 518055 PR China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology Beijing 100029 PR China Department of Environment and Civil Engineering Dongguan University of Technology Dongguan 523808 PR China Institute of Chemical Sciences Bahauddin Zakariya University Multan 60800 Pakistan International Research Center for Renewable Energy (IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering (MPFE) Xi’an Jiaotong University Xi’an 710049 PR China Institute for Advanced Study Shenzhen University Nanhai Avenue 3688 Shenzhen 518060 PR China

The ever decreasing amount of fossil fuels and increasing environmental pollution are alarming threats for green and sustainable future. Designing a new catalyst is, therefore, of paramount significance in the quest to discover sustainable, robust, and environmentally benign materials for clean and sustainable energy generation. Herein, we developed a hierarchically oriented catalyst of calcined poly(ferrocenedimethano)-cyclotriphosphazene-microspheres (CPFC-MS) supported with nickel-aluminum layered double hydroxide and decorated with nanoparticles (NPs) of rhodium-nickel, [email protected] x Ni 1 - x ( x = 2.06–6.75), for H 2 generation from ammonia borane (AB) hydrolysis . The highly active catalyst was characterized by scanning electron microscopy (SEM), Raman spectroscopy , high-resolution transmission electron microscopy (HRTEM) and TEM, energy dispersive X-ray spectroscopy (EDX), fourier transform infrared (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS). The as-fabricated [email protected] @Rh x Ni 1- x ( x = 2.06–6.75) catalysts were tested for AB hydrolysis and the results showed remarkable performance and higher stability for H 2 generation. The [email protected] @Rh 2.06 Ni 7.32 catalyst, having the lowest Rh-contents, exhibited maximum H 2 generation with a turn over frequency (TOF) of 780 mol H 2 hr −1 mol Rh −1 and an activation energy (E a ) of 40.3 kJ/mol with excellent sustainability . The superior activity is ascribed to the synergetic effect between RhNi NPs and their well-dispersion over hierarchically oriented [email protected] support, while higher stability due to LDH-AlNi/RhNi attractions. This work will provide new opportunities for polyphosphazenes and LDH derived hierarchically oriented sustainable catalysts for green energy production for sustainable future.

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Room‐Temperature Activation of H2by a Surface Frustrated Lewis Pair

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Angewandte Chemie 2019年第28期131卷

作者： Lu Wang Tingjiang Yan Rui Song Wei Sun Yuchan Dong Jiuli Guo Zizhong Zhang Xuxu Wang Geoffrey A. Ozin Department of Chemistry University of Toronto 80 St. George Street Toronto Ontario M5S3H6 Canada College of Chemistry and Chemical Engineering Qufu Normal University Qufu Shandong 273165 P. R. China International Research Center for Renewable Energy & State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an Shanxi 710049 P. R. China Department of Chemistry Nankai University Tianjin 300071 P. R. China State Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University Fuzhou 350108 P. R. China

Surface frustrated Lewis pairs (SFLPs) have been implicated in the gas‐phase heterogeneous (photo)catalytic hydrogenation of CO 2 to CO and CH 3 OH by In 2 O 3− x (OH) y . A key step in the reaction pathway is envisioned to be the heterolysis of H 2 on a proximal Lewis acid–Lewis base pair, the SFLP, the chemistry of which is described as In⋅⋅⋅In‐OH + H 2 → In‐OH 2 + ⋅⋅⋅In‐H − . The product of the heterolysis, thought to be a protonated hydroxide Lewis base In‐OH 2 + and a hydride coordinated Lewis acid In‐H − , can react with CO 2 to form either CO or CH 3 OH. While the experimental and theoretical evidence is compelling for heterolysis of H 2 on the SFLP, all conclusions derive from indirect proof, and direct observation remains lacking. Unexpectedly, we have discovered rhombohedral In 2 O 3− x (OH) y can enable dissociation of H 2 at room temperature, which allows its direct observation by several analytical techniques. The collected analytical results lean towards the heterolysis rather than the homolysis reaction pathway.

关键词： Gasphasenreaktionen Heterolytische H2-Dissoziation Indiumoxid Oberflächenchemie Oberflächenfrustriertes Lewis-Paar

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Decrypting the Controlled Product Selectivity over Ag−Cu Bimetallic Surface Alloys for Electrochemical CO2Reduction

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Angewandte Chemie 2023年第19期135卷

作者： Daixing Wei Yiqing Wang Prof. Chung-Li Dong Zhengqi Zhang Xinyu Wang Dr. Yu-Cheng Huang Yuchuan Shi Xiaoli Zhao Jialin Wang Prof. Ran Long Prof. Yujie Xiong Prof. Fan Dong Prof. Mingtao Li Prof. Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China Department of Physics Tamkang University New Taipei City 25137 Taiwan Hefei National Laboratory for Physical Sciences at the Microscale Frontiers Science Center for Planetary Exploration and Emerging Technologies School of Chemistry and Materials Science and National Synchrotron Radiation Laboratory University of Science and Technology of China Hefei 230026 China Research Center for Environmental and Energy Catalysis Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu 611731 China

Electrochemical CO 2 reduction reaction (ECO 2 RR) with controlled product selectivity is realized on Ag−Cu bimetallic surface alloys, with high selectivity towards C2 hydrocarbons/alcohols (≈60 % faradaic efficiency, FE), C1 hydrocarbons/alcohols (≈41 % FE) and CO (≈74 % FE) achieved by tuning surface compositions and applied potentials. In situ spectral investigations and theoretical calculations reveal that surface-composition-dependent d-band center could tune *CO binding strengths, regulating the *CO subsequent reaction pathways and then the product selectivity. Further adjusting the applied potentials will alter the energy of participated electrons, which leads to controlled ECO 2 RR selectivity towards desired products. A predominant region map, with an indicator proposed to evaluate the thermodynamic predominance of the *CO subsequent reactions, is then provided as a reliable theoretical guidance for the controllable ECO 2 RR product selectivity over bimetallic alloys.

关键词： Alloys CO2 Reduction Controlled Product Selectivity Electrochemistry

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Elucidating Confinement and Microenvironment of Ru Clusters Stably Confined in MFI Zeolite for Efficient Propane Oxidation

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Angewandte Chemie 2024年第5期137卷

作者： Jingjing Wang Dr. Zeyu Jiang Hengyue Xu Prof. Xinzhe Li Dr. Yanfei Jian Dr. Lianghui Xia Dr. Pei Su Qiyuan Liu Prof. Shouning Chai Dr. Mudi Ma Dr. Abdallah Amedlous Dr. Mathias Barreau Prof. Zhengping Hao Prof. Jiaguo Yu Prof. Chi He State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 Shaanxi P.R. China Laboratoire Catalyse & Spectrochimie Normandie Univ ENSICAEN UNICAEN CNRS Caen 14000 France Department of Chemistry Tsinghua University Beijing 100084 P.R. China College of Environmental and Chemical Engineering Yanshan University Qinhuangdao 066004 P.R. China National Engineering Laboratory for VOCs Pollution Control Material & Technology University of Chinese Academy of Sciences Beijing 101408 P.R. China Laboratory of Solar Fuel Faculty of Materials Science and Chemistry China University of Geosciences Wuhan 430078 P.R. China

Achieving active and stable heterogeneous catalysts by encapsulating noble metal species within zeolites is highly promising for high utilization and cost efficiency in thermal and environmental catalytic reactions. Ru, considered an economical noble metal alternative with comparable performance, faces great challenges within MFI-type microporous zeolites due to its high cohesive energy and mobility. Herein, an innovative strategy was explored that couples hydrothermal in situ ligand protection with stepwise calcination in a flowing atmosphere to embed ultrasmall Ru clusters anchored at K + -healed silanol sites (≡Si−Ru δ+ −O−K complexes) within 10-membered ring sinusoidal channels of MFI. Comprehensive experiments and theoretical calculations unveiled that the interplay between confined Ru clusters and MFI induces local strain in MFI, creating a unique catalytic microenvironment around the Ru clusters. This synergy interaction enhances alkane deep oxidation as the confined Ru clusters and the MFI microenvironment collectively pre-activate C 3 H 8 and O 2 , facilitate the cleavage of C−H and C−C bonds at low temperatures. Notably, the stable geometric and electronic properties of the confined Ru show exceptional thermal stability up to 1000 °C, rivaling fresh catalysts. These findings shed vital methodological and mechanistic insights for developing efficacious heterogeneous catalysts for thermal catalysis.

关键词： heterogeneous catalysis microenvironment Ruthenium strain zeolite

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Exploration over combined impacts of modified piston bowl geometry and tert -butyl hydroquinone additive-included biodiesel/diesel blend on diesel engine behaviors

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Fuel 2022年 322卷

作者： Krupakaran Radhakrishnan Lawrence Zuohua Huang Xuan Phuong Nguyen Dhinesh Balasubramanian Vidyasagar Reddy Gangula Raghurami Reddy Doddipalli Van Vang Le Sachuthananthan Bharathy Anh Tuan Hoang Department of Mechanical Engineering Sree Vidyanikethan Engineering College Tirupati Andhra Pradesh India State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi’an 710049 China PATET Research Group Ho Chi Minh City University of Transport Ho Chi Minh City Viet Nam Department of Mechanical Engineering Mepco Schlenk Engineering College Sivakasi India Mechanical Engineering Faculty of Engineering Khon Kaen University Khon Kaen Thailand Center for Alternative Energy Research and Development Khon Kaen University Khon Kaen Thailand Institute of Maritime Ho Chi Minh City University of Transport Ho Chi Minh City Viet Nam Institute of Engineering HUTECH University Ho Chi Minh City Viet Nam

Nowadays, the use of biodiesel for diesel engines has been attracting researchers aiming to improve engine characteristics although the engine performance could be decreased while utilizing biodiesel. In this aspect, optimizing the piston bowl geometry is one of the useful approaches to enhance the efficiency of the biodiesel-powered diesel engine. In this study, the standard piston of an existing diesel engine was modified into two different combustion bowls, namely Symmetrical Stepped Curved-V (SSCV) and Symmetrical Spline-V (SSV), to evaluate the CI engine performance powered with mixtures of sesame-originated biodiesel, diesel fuel, and tert -butyl hydroquinone (TBHQ) additive through two-stage experiment. In the first phase, experiments were carried out on two modified piston bowls powered by diesel and S20 (20% sesame biodiesel + 80% diesel fuel). Resultantly, SSV piston revealed superior engine characteristics to SSCV piston and standard piston due to enhanced air–fuel mixing and more complete combustion of SSV piston-based engine. Indeed, SSV piston operation exhibited an 8.68% of increased brake thermal efficiency (BTE), 6.54% of curtailed brake-specific fuel consumption (BSFC), 4.76% of lowered carbon monoxide (CO), 4.84% of decreased unburnt hydrocarbon (HC), and 2.22% of lowered smoke opacity but with increased nitrogen oxide (NOx) by 14.14% in comparison to diesel. In the 2nd phase, to control the NOx emission effectively, a TBHQ additive was added to the S20 sample at different proportions (500 mg and 1000 mg) to analyze the test engine behaviors with modified piston shapes. As a result, S20 + 500 mg TBHQ at 100% load improved BTE by 5.79% and reduced BSFC by 4.36% in the case of SSV piston. Moreover, it curtailed emissions of CO, HC, NOx, and smoke opacity by 13.33%, 15.49%, 12.09%, and 9.44%, respectively, when equated with diesel. Overall, S20 + 500 mg TBHQ could be thought of as a possible alternative fuel on SSV piston as it resulted in superior p

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Modulating the Electronic Metal-Support Interactions in Single-Atom Pt1−CuO Catalyst for Boosting Acetone Oxidation

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Angewandte Chemie 2022年第28期134卷

作者： Dr. Zeyu Jiang Dr. Mingjiao Tian Dr. Meizan Jing Prof. Shouning Chai Dr. Yanfei Jian Dr. Changwei Chen Prof. Mark Douthwaite Dr. Lirong Zheng Dr. Mudi Ma Prof. Weiyu Song Prof. Jian Liu Prof. Jiaguo Yu Prof. Chi He State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 Shaanxi P. R. China Department of Chemistry National University of Singapore Singapore 117543 Singapore Laboratory of Solar Fuel Faculty of Materials Science and Chemistry China University of Geosciences Wuhan 430074 P. R. China State Key Laboratory of Heavy Oil Processing China University of Petroleum Beijing 102249 P. R. China Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis School of Chemistry Cardiff University Cardiff CF10 3AT UK Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 P. R. China National Engineering Laboratory for VOCs Pollution Control Material & Technology University of Chinese Academy of Sciences Beijing 101408 P. R. China

The development of highly active single-atom catalysts (SACs) and identifying their intrinsic active sites in oxidizing industrial hazardous hydrocarbons are challenging prospects. Tuning the electronic metal-support interactions (EMSIs) is valid for modulating the catalytic performance of SACs. We propose that the modulation of the EMSIs in a Pt 1 −CuO SAC significantly promotes the activity of the catalyst in acetone oxidation. The EMSIs promote charge redistribution through the unified Pt−O−Cu moieties, which modulates the d -band structure of atomic Pt sites, and strengthens the adsorption and activation of reactants. The positively charged Pt atoms are superior for activating acetone at low temperatures, and the stretched Cu−O bonds facilitate the activation of lattice oxygen atoms to participate in subsequent oxidation. We believe that this work will guide researchers to engineer efficient SACs for application in hydrocarbon oxidation reactions.

关键词： Acetone Oxidation Electronic Metal-Support Interactions Intrinsic Mechanism Single-Atom Catalysts

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Corrigendum to: “One-pot synthesis of amorphous/crystalline SnO 2 /BaSO 4 composite sensitized with Eosin Y for enhanced photocatalytic H 2 production” [J. Environ. Chem. Eng. 12 (2024) 112770/JECE112770]

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Journal of Environmental Chemical engineering 2024年第5期12卷

作者： Cheng Cheng Jinfeng Zhang Haiping Jia Xutao Ding Gongyue Dong Feng Chen Yuchao Hu Jinwen Shi School of Chemical Engineering and Technology International Research Center for Renewable Energy (IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering (MFPE) Xi’an Jiaotong University (XJTU) 28 West Xianning Road Xi’an 710049 China Shaanxi Key Laboratory of Advanced Stimulation Technology for Oil & Gas Reservoirs Xi’an Shiyou University Xi’an 710065 China Shaanxi Gas Group Fuping Energy Technology Co. Ltd 2 Kaiyuan Road Xi'an 710016 China Integrated Energy Institute Sichuan Digital Economy Industry Development Research Institute 88 Jiefang Road Chengdu 610036 China West Pipeline Company PipeChina 666 Beijing Middle Road Urumqi 830013 China School of Materials and Energy University of Electronic Science and Technology of China Chengdu 611731 China

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