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Thermophysical properties and molecular interactions of fuel oxygenate mixture at different temperatures via Jouyban–Acree model

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AIP Conference Proceedings 2023年第1期2682卷

作者： Thanusha Thanihaik Kumaar Ramesh Redrouthu Ramesh Kanthasamy Imtiaz Ali Bamidele Victor Ayodele Dai-Viet N.Vo Kavitha Nagarasampatti Palani 1Process systems Engineering and Safety Group Faculty of Chemical and Natural Resources Engineering Universiti Malaysia Pahang 26300 Gambang Kuantan Malaysia. 2Department of Chemical Engineering College of Biological and Chemical Engineering Addis Ababa Science and Technology University Addis Ababa Ethiopia. 3Chemical & Materials Engineering Faculty of Engineering King Abdulaziz University Rabigh Branch Saudi Arabia 344 Rabigh Saudi Arabia. 4Institute of Energy Policy and Research Universiti Tenaga Nasional Jalan IKRAM-UNITEN 43000 Kajang Selangor Malaysia 5Center of Excellence for Green Energy and Environmental Nanomaterials (CE@GrEEN) Nguyen Tat Thanh University Ho Chi Minh City Viet Nam 6Department of Chemical Engineering Sri Venkateswara College of Engineering Sriperumbudur Kancheepuram India.

Viscosities and densities of an ethanol with fuel oxygenate at temperatures of the binary system of methyl tert butyl ether of (T=303.15 K to 318.15 K) entire composition range and 1atm. The experimental density and viscosity results were used to calculate the excess molar volume, VE and viscosity deviation, Δη of the system. With an aim, the thermophysical properties of densities and viscosity of liquid mixture were correlated using Jouyban–Acree polynomial equation to obtain their coefficients and standard deviations. Standard deviations have been considered between the fitted outcomes and the calculated data is helpful deliberate mixing behaviour of the oxygenate mixtures. It was found that, low standard deviations<2.50% in this case, the data found with the values correlated by the corresponding model very well. The molecular interactions existing between the components of liquid mixture were also discussed. The presences of interactions were further validated with spectroscopic analysis using FTIR and 1H-NMR.

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Thiolated, Reduced Palladium Nanoclusters with Resolved Structures for the Electrocatalytic Reduction of Oxygen

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Angewandte Chemie 2022年第46期134卷

作者： Dr. Shengli Zhuang Dr. Dong Chen Dr. Qing You Wentao Fan Prof. Jun Yang Prof. Zhikun Wu Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and Nanotechnology CAS Center for Excellence in Nanoscience Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 P. R. China Department of Chemistry and Centre for Atomic Engineering of Advanced Materials Anhui University Hefei Anhui 230601 P. R. China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 P. R. China Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology of China Hefei 230026 P.R. China

Although thiolated, reduced Group 11 metal nanoclusters with atomic monodispersity have been repeatedly reported in the past decade, their Pd analogues have not been reported thus far. In this work, we provide a resolution for the challenging synthesis and obtain for the first time an atomically monodisperse thiolated, reduced Pd (q=+0.75) nanocluster with a di-tetrahedron Pd 8 kernel and a +3 charged interstitial B atom, as revealed by ESI-MS, SCXRD, etc. μ-6 B is found for the first time in Group 10 and 11 metal nanoclusters. More importantly, the as-obtained Pd nanoclusters show better catalytic activity compared to 1.4 nm Pd nanoparticles, Pd 2 complexes and even a commercial Pt/C catalyst for the oxygen reduction reaction (ORR), having significant implications for the influence of the metal charge state and space structure on the catalytic activity.

关键词： Electrocatalysis Interstitial B Atom ORR Nanoclusters Palladium

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Improving the Selectivity and Stability of Supported Cobalt Catalysts via Static Bi-Doping and Dynamic Trace CO2Co-Feeding During Propane Dehydrogenation

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Angewandte Chemie 2024年第3期137卷

作者： Yongbin Yao Jingnan Wang Qiang Liu Can Yu Zhan Gao Fangli Yuan Prof. Xi Wang Department of Physics School of Physical Science and Engineering Beijing Jiaotong University Beijing 100044 P. R. China Tangshan Research Institute of Beijing Jiaotong University Tangshan City Hebei Beijing 100044 P. R. China Institute of Molecular Engineering Plus College of Chemistry Fuzhou University Fuzhou 350108 P. R. China School of Chemical Engineering and Technology Tianjin University Tianjin 300072 P. R. China Institute of High Energy Physics Chinese Academy of Sciences (CAS) Beijing 100049 China State Key Laboratory of Multi-phase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 PR China

Simultaneously enhancing selectivity and stability on supported propane dehydrogenation (PDH) catalysts remains a formidable challenge. Here, we report a combined static and dynamic strategy to address these issues synergistically. Firstly, we demonstrate a feasible sol-gel method for preparing atomically-dispersed Bi-decorated metal nanoparticle catalysts (MBi/Al 2 O 3 , M=Fe, Co, Ni, and Zn). In PDH testing, the total selectivity of by-products (CH 4 and C 2 H 6 ) significantly decreases to 4 % for CoBi catalysts due to the static Bi-doping, compared with 16 % for Co-supported catalysts. Secondly, to enhance catalytic stability, we introduce a dynamic trace CO 2 co-feeding route. 10CoBi/Al 2 O 3 catalysts exhibit superior durability against coke formation for 330 hours in PDH under a 40 % C 3 H 8 atmosphere followed by pure C 3 H 8 conditions at 600 °C while maintaining propylene selectivity at 96 %. Notably, introducing trace CO 2 leads to a remarkable 6-fold decrease in the deactivation rate constant ( k d ). Multiple characterizations and density functional theory calculations reveal that charge transfer from atomically-distributed Bi to Co nanoparticles benefits lowering the energy of C 3 H 6 adsorption thereby suppressing by-products. Furthermore, the dynamic co-feeding of trace CO 2 facilitates coke removal, suppressing catalyst deactivation. The static Bi-doping and dynamic trace CO 2 co-feeding strategy contributes simultaneously to increased selectivity and stability on supported PDH catalysts.

关键词： Static Bi-doping Dynamic trace CO2 co-feeding Cobalt Heterogeneous catalysis Propane dehydrogenation

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The basis of an automated design system of the packed absorber using neural networks

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IOP Conference Series: Materials Science and engineering 2020年第1期786卷

作者： O S Kharitonova I V Vyatkina V V Bronskaya L E Khairullina R S Shaikhetdinova N V Kotova Department of Chemical Technology of Petroleum and Gas Processing Kazan National Research Technological University 68 Karl Marx Street Kazan 420015 Russia Department of Bilingual Education Kazan National Research Technological University 68 Karl Marx Street Kazan 420015 Russia Department of Chemical Process Engineering Kazan National Research Technological University 68 Karl Marx Street Kazan 420015 Russia Department of Information Systems Kazan Federal University 35 Kremlyovskaya Street Kazan 420008 Russia Department of Technology of Engineering Materials Kazan National Research Technological University 68 Karl Marx Street Kazan 420015 Russia

An optimal artificial neural network has been developed for an application to determine the height and diameter of the packed absorber apparatus using neural networks. The obtained results can be used for modeling a wide class of objects of chemical technology with the possibility of formalization of calculation procedures.

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Erratum to: A molecular genetic toolbox for Yarrowia lipolytica

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Biotechnology for biofuels 2017年第1期10卷 45页

作者： Erin L Bredeweg Kyle R Pomraning Ziyu Dai Jens Nielsen Eduard J Kerkhoven Scott E Baker Earth and Biological Sciences Directorate Environmental Molecular Sciences Laboratory Richland WA 99354 USA. Department of Energy Battelle EMSL 3335 Innovation Blvd Richland WA 99354 USA. Chemical & Biological Process Development Group Energy and Environment Directorate Pacific Northwest National Laboratories Richland WA 99354 USA. Systems and Synthetic Biology Department of Biology and Biological Engineering Chalmers University of Technology Göteborg Sweden. Novo Nordisk Foundation Center for Biosustainability Technical University of Denmark Hørsholm Denmark.

[This corrects the article DOI: 10.1186/s13068-016-0687-7.].

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Modular Functionalization of Metal-Organic Frameworks for Nitrogen Recovery from Fresh Urine**

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Angewandte Chemie 2023年第39期135卷

作者： Lei Guo Yi Zhang Silvio Osella Samuel M. Webb Xue-Jing Yang William A. Goddard III Michael R. Hoffmann National Engineering Laboratory for Industrial Wastewater Treatment and State Key Laboratory of Chemical Engineering East China University of Science and Technology Shanghai 200237 China Linde Laboratories California Institute of Technology Pasadena CA 91125 USA Current address: Department of Civil Engineering University of Arkansas Fayetteville Fayetteville AR 72701 USA Chemical and Biological Systems Simulation Lab Center of New Technologies University of Warsaw Banacha 2 C 02-097 Warsaw Poland Materials and Process Simulation Center California Institute of Technology Pasadena CA 91125 USA Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory 2575 Sand Hill Rd. Menlo Park CA 94025 USA

Nitrogen recovery from wastewater represents a sustainable route to recycle reactive nitrogen (Nr). It can reduce the demand of producing Nr from the energy-extensive Haber-Bosch process and lower the risk of causing eutrophication simultaneously. In this aspect, source-separated fresh urine is an ideal source for nitrogen recovery given its ubiquity and high nitrogen contents. However, current techniques for nitrogen recovery from fresh urine require high energy input and are of low efficiencies because the recovery target, urea, is a challenge to separate. In this work, we developed a novel fresh urine nitrogen recovery treatment process based on modular functionalized metal–organic frameworks (MOFs). Specifically, we employed three distinct modification methods to MOF-808 and developed robust functional materials for urea hydrolysis, ammonium adsorption, and ammonia monitoring. By integrating these functional materials into our newly developed nitrogen recovery treatment process, we achieved an average of 75 % total nitrogen reduction and 45 % nitrogen recovery with a 30-minute treatment of synthetic fresh urine. The nitrogen recovery process developed in this work can serve as a sustainable and efficient nutrient management that is suitable for decentralized wastewater treatment. This work also provides a new perspective of implementing versatile advanced materials for water and wastewater treatment.

关键词： Metal-Organic Frameworks Nitrogen Recovery Renewable Resources Urine Waste Prevention

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Perspectives for self-driving labs in synthetic biology

arXiv

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arXiv 2022年

作者： Martin, Hector Garcia Radivojevic, Tijana Zucker, Jeremy Bouchard, Kristofer Sustarich, Jess Peisert, Sean Arnold, Dan Hillson, Nathan Babnigg, Gyorgy Marti, Jose Manuel Mungall, Christopher J. Beckham, Gregg T. Waldburger, Lucas Carothers, James Sundaram, ShivShankar Agarwal, Deb Simmons, Blake A. Backman, Tyler Banerjee, Deepanwita Tanjore, Deepti Ramakrishnan, Lavanya Singh, Anup Lawrence Berkeley National Laboratory Biological Systems and Engineering Division BerkeleyCA United States Department of Energy Agile BioFoundry EmeryvilleCA United States Joint BioEnergy Institute EmeryvilleCA United States BCAM Basque Center for Applied Mathematics Bilbao Spain Lawrence Berkeley National Laboratory Scientific Data Division BerkeleyCA United States Helen Wills Neuroscience Institute Redwood Center for Theoretical Neuroscience BerkeleyCA United States Lawrence Berkeley National Laboratory Energy Storage and Distributed Resources Division BerkeleyCA United States University of California Davis Department of Computer Science DavisCA United States Global Security Computing Applications Division Lawrence Livermore National Laboratory LivermoreCA United States Engineering Directorate Lawrence Livermore National Laboratory LivermoreCA United States Center for Bioengineering Lawrence Livermore National Laboratory LivermoreCA United States Department of Chemical Engineering Molecular Engineering & Sciences Institute Center for Synthetic Biology University of Washington SeattleWA United States Biosciences Division Argonne National Laboratory ArgonneIL United States Advanced Biofuels and Bioproducts Process Development Unit Lawrence Berkeley National Laboratory BerkeleyCA United States Biomaterials and Biomanufacturing Division Sandia National Laboratories LivermoreCA United States Earth and Biological Sciences Division Pacific Northwest National Laboratories RichlandWA United States Resources and Enabling Sciences Center National Renewable Energy Laboratory GoldenCO80401 United States Department of Bioengineering University of California BerkeleyCA United States

Self-driving labs (SDLs) combine fully automated experiments with artificial intelligence (AI) that decides the next set of experiments. Taken to their ultimate expression, SDLs could usher a new paradigm of scientific research, where the world is probed, interpreted, and explained by machines for human benefit. While there are functioning SDLs in the fields of chemistry and materials science, we contend that synthetic biology provides a unique opportunity since the genome provides a single target for affecting the incredibly wide repertoire of biological cell behavior. However, the level of investment required for the creation of biological SDLs is only warranted if directed towards solving difficult and enabling biological questions. Here, we discuss challenges and opportunities in creating SDLs for synthetic biology. © 2022, CC BY.

关键词： Synthetic biology

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Interactive power system data preparation and verification using a pc‐editor

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European Transactions on Electrical Power 1991年第3期1卷 149-152页

作者： Linke, K. Rumpel, D. Dip1.-Ing. Klaus Linke (1939) VDEis the director of the department "load dispatching and network operation" of Vereinigte Elektrizitatswerke Westfalen AG (VEW). DortmundGermany. After the study of electrical engineering at the Technical University of KarlsruhdGermany he started his professional career in an engineering-concern where he was responsible among others for investigations concerning the installation of process-computers in chemical plants. In 1968 he changed to VEW. Here in 1984 he took over his present position in which he is mainly engaged with the tasks of the management of the HV and EHV network and the power system control together with the problems concerning network automation incident to it. (Vereinigte Elektrizitatswerke Westfalen AG Hauptverwaltung Rheinlanddamm 24 W-4600 Dortmund 1 T +49 23 114 38-42 41) Dr.-Ing. Dieter Rumpel (1932) VDE is full professor and since 1978 head of the Power Systems Institute of Duisburg University Germany. He got his DiplAng. degree from the Technical University Munich and his Dr.-Ing. degree from the Technical University Berlin. Before his call to Duisburg he worked at Siemens AG for 23 years. (Universiiit-GHDuisburg Fachbereich Elektrotechnik PF 10 15 03 W-4100 Duisburg T 4 9 20 313 79-34 37)

For computerized power system operation, all objects of the network must be mapped in a data‐model. For this task, the „Grid Data Language” (GDL) does not apply format‐bound source data, but describes the objects using a format‐free source text. To handle such texts, an editing‐ and verification‐system was implemented. This paper reports its application when describing an extra‐high voltage network for use in a training simulator. In that way, the full content of a dispatcher EHV data‐model could be converted to GDL, requiring a work of 15 to 20 man‐days. Copyright © 1991 John Wiley & Sons, Ltd.

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Business and Economics: Metrics and Peer Review in the journal: 'WSEAS Transactions on Business and Economics'

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Journal of Physics: Conference Series 2020年第1期1564卷

作者： Nikos Bardis Lambros Ekonomou Pierre Borne Klimis Ntalianis Paolo Mercorelli Michael N Katehakis Nikos Kintzios Cornelia Aida Bulucea Maria Isabella Garcia Planas Hellenic Military Academy Vari Attica GREECE Department of Electrical and Electronic Engineering Educators School of Pedagogical & Technological Education (ASPETE) Maroussi Athens GREECE ex IEEE France Section Chair IEEE Fellow IEEE/SMC Past President Ecole Centrale de Lille BP 48 59651 Villeneuve d'Ascq FRANCE University of West Attica Egaleo Athens GREECE Institute of Product and Process Innovation - PPI Leuphana University of Lueneburg Lüneburg GERMANY Management Science and Information Systems Department Rutgers University NJ USA Faculty of Electrical Engineering University of Craiova ROMANIA Department of Mathematics at the Universitat Politecnica de Catalunya Barcelona SPAIN

The Conference MMCTSE 2020 was in collaboration with the Journal 'WSEAS Transactions on Business and Economics'. In this paper, the Metrics, the Peer Review and some statistical results of this Journal: 'W...

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Catalytic Transformation of PET and CO2into High-Value Chemicals

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Angewandte Chemie 2022年第10期134卷

作者： Yinwen Li Dr. Meng Wang Dr. Xingwu Liu Prof. Dr. Chaoquan Hu Prof. Dr. Dequan Xiao Prof. Dr. Ding Ma Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering Peking University Beijing 100871 P. R. China State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences Taiyuan Shanxi 030001 P. R. China Synfuels China Beijing 100195 P. R. China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 People's Republic of China Nanjing IPE Institute of Green Manufacturing Industry Nanjing 211135 P. R. China Center for Integrative Materials Discovery Department of Chemistry and Chemical and Biomedical Engineering University of New Haven West Haven CT 06516 USA

Polyethylene terephthalate (PET) and CO 2 , two chemical wastes that urgently need to be transformed in the environment, are converted simultaneously in a one-pot catalytic process through the synergistic coupling of three reactions: CO 2 hydrogenation, PET methanolysis and dimethyl terephthalate (DMT) hydrogenation. More interestingly, the chemical equilibria of both reactions were shifted forward due to a revealed dual-promotion effect, leading to significantly enhanced PET depolymerization. The overall methanol yield from CO 2 hydrogenation exceeded the original thermodynamic equilibrium limit since the methanol was in situ consumed in the PET methanolysis. The degradation of PET by a stoichiometric ratio of methanol was significantly enhanced because the primary product, DMT was hydrogenated to dimethyl cyclohexanedicarboxylate (DMCD) or p-xylene (PX). This synergistic catalytic process provides an effective way to simultaneously recycle two wastes, polyesters and CO 2 , for producing high-value chemicals.

关键词： CO2 Hydrogenation DMT Hydrogenation Dual-Promotion One-Pot Catalysis PET Methanolysis

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