Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study by Lihui Ou

“…By performing detailed DFT calculations on the thermodynamics, surface chemistry and electronic properties of Pd-M alloys, Pd-V, Pd-Fe, Pd-Zn, Pd-Nb, and Pd-Ta, are identified theoretically to have stable Pd segregated surface and improved ORR activity. …”
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A Finite Element Method orthotropic multi-yield elastic-inelastic model of a wood-adhesive-steel composite by Vincenzo De Luca, Cosimo Marano

“…In this work, the Finite Element Method model is formulated within the theories of Continuum Mechanics and irreversible thermodynamics of deformation, finite strains hypothesis, and kinematics of large displacements. …”
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Alban Pellegris, Le découplage entre la consommation d’énergie et le PIB. Questionnements théoriques et évaluations empiriques du rôle de l’énergie dans le processus de croissance... by Alban Pellegris

“…It examines the proposal of a part of ecological economics to integrate the laws of thermodynamics into aggregate production functions. Chapter 3 focuses on the neo-physiocratic and classical schools of thought (especially Marxism). …”
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B. Cui, K. Becker, U. Lüdersen, M. Gottschlich, S. Kabelac. A study on the kinematics of a new Schukey-type rotary compressor / trans. from Engl. M. A. Fedorova by M. A. Fedorova

“…Initial studies have shown that changes in the kinematics of the rotors will have a direct influence on the thermodynamical variables, which, if optimized, can lead to an increased performance of the machine. …”
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Five Regioisomers of Dimethyl Dodecahedrane Derivatives: A Hybrid DFT B3LYP Study by Seol Lee, YongJae Cho, Kee Hag Lee

“…It would be disadvantaged thermodynamically for 1,2-dimethyl derivative that, in the experimental results, was not synthesized yet. …”
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Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with β-Himachalene: A DFT Study by Sana El Hamidi, Malika Khnifira, El Mokhtar Lemdek, Redouan Hammal, Noureddine Barka, M’hamed Sadiq, Ahmed Benharref, Ahmed Chekroun, Hssaine Zgou, Mohamed Abdennouri

“…The major products Pαα are kinetically and thermodynamically favored with a high stereoselectivity in perfect correlation with the experimental observations.…”
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Adsorption Behaviors of Oxytetracycline onto Sediment in the Weihe River, Shaanxi, China by Dong-Hui Cheng, Sheng-Ke Yang, Yue Zhao, Jing Chen

“…However, the Langmuir isotherm was more suitable to describe the adsorption. Thermodynamics parameters such as Gibbs-free energy change (ΔG°), enthalpy change (ΔH°), and entropy change (ΔS°) were calculated. …”
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The Three-Dimensional Structure of Transatlantic African Dust Transport: A New Perspective from CALIPSO LIDAR Measurements by Dong Liu, Yingjian Wang, Zhien Wang, Jun Zhou

“…The results show the strong seasonal shift in dust source regions and transportation pathways due to the meteorological and thermodynamical conditions, which also control the dust vertical distribution as well as the depth of the dust layer. …”
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Efficiency Enhancement on Solid Oxide Fuel Cell system with anode off-gas recycle by evaluating entropy and exergy change by Hsin-Yi Lai, Hung-Ju Lin, Yen-Hsin Chan

“…To evaluate the effects of design configurations, the impact of high-temperature/low-temperature anode off-gas recycle (HT/LT-AGR) on system performance was investigated by calculating the entropy using the second law of thermodynamics. By analyzing the system with different AGR designs and considering the increasing entropy of heat components in the SOFC system, the efficiency calculations can be more practical and accurate.In this study, the working efficiency of the SOFC system with HT-AGR is 56.215 %, which is 4.7 % higher than with LT-AGR. …”
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Near Surface Stoichiometry in UO2: A Density Functional Theory Study by Jianguo Yu, Billy Valderrama, Hunter B. Henderson, Michele V. Manuel, Todd Allen

“…On the basis of the point-defect model (PDM), a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. …”
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Template JCEC by Editorial Team/Equipe Editorial JCEC

“…The focuses and scope include, but are not limited to: 1) Biotechnological Processes; 2) Engineering and Food Technology; 3) Transport Phenomena; 4) Environmental Engineering and Clean Technologies; 5) Engineering of Chemical Reaction and Catalysis; 6) Simulation, Optimization and Process Control; 7) Engineering Materials and Nanotechnology; 8) Engineering of Separations and Thermodynamics; 9) Engineering Education and Science Education; 10) Chemistry; 11) Extension Project in Engineering and related areas; 12) Mechanical Engineering; 13) Industrial Engineering; 14) Innovation Lecture Notes; 15) Energy and 16) Special Topics. …”
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Effect of Rotating Magnetic Field on Hydrogen Production from Electrolytic Water by Hao Guo, Sangyoung Kim

“…In this paper, the thermodynamics, electric power principle, and electrolytic reaction of hydrogen production from electrolytic water are analyzed, and the working processes of alkaline electrolytic cell, solid oxide electrolytic cell, and solid polymer electrolytic cell are analyzed. …”
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Advances in Energy Conservation of China Steel Industry by Wenqiang Sun, Jiuju Cai, Zhu Ye

“…It could be achieved by the comprehensive study on energy flow network optimization, such as production, allocation, utilization, recovery, reuse, and resource, according to the energy quantity, quality, and user demand following the first and second laws of thermodynamics.…”
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Synthesize of montmorillonite supported hydroxyapatite and determination of adsorption capacity by tetracycline removal by Pelin Baran

“…It has been concluded that TC adsorption of HA/MMT composite was an endothermic (ΔHo = +39.85 kJ mol-1) and spontaneous process thermodynamically. It has been concluded that the synthesized HA/MMT composite has high adsorption capacity and can be used for the removal of organic pollutants such as TC from wastewater.…”
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Low-cost seaweed biomass treatment with formaldehyde for cationic dyes removal from aqueous solutions by D. M. Polanco-Gamboa, Mohamed Abatal, D. M. Polanco-Gamboa, Claudia Aguilar, Francisco Anguebes-Fransechi, Eder C. Lima, Joel Vargas, Ismeli Alfonso, A Quiroz

“…Kinetics modeling shows that the adsorption of both dyes onto FV-FORMALD was well described by pseudo-second order. The thermodynamics parameters validated the exothermic nature and the spontaneously of the adsorption of both dyes. …”
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On Disk Formation around Isolated Black Holes via Stream Accretion by Priyesh Kumar Tripathi, Indranil Chattopadhyay, Raj Kishor Joshi

“…We show that the classical BHL cannot form an accretion disk, while lateral BHL can form transient accretion disks. To describe the thermodynamics of the flow, we have used a variable adiabatic index equation of state which depends on the temperature of the flow as well as the composition of the gas. …”
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Ezetimibe Anticancer Activity via the p53/Mdm2 Pathway by Charmy Twala, Sibusiso Malindisa, Chamone Munnik, Selisha Sooklal, Monde Ntwasa

“…Methods and Results: Our in silico studies indicate that Ezetimibe binds to the Tp53 binding domain in Mdm2, forming a more thermodynamically stable complex than nutlin3a. Furthermore, a docking study of the newly developed inhibitors—RG7388 and RG7112—was conducted. …”
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Adsorption of Arsenate from Aqueous Solution onto Modified Vietnamese Bentonite by Nguyen Le My Linh, Duc Hoang Van, Tran Duong, Mai Xuan Tinh, Dinh Quang Khieu

“…Adsorption kinetics, thermodynamics, and reusability of modified bentonites have been addressed.…”
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Electrical and Thermal Performance Analysis for a Highly Concentrating Photovoltaic/Thermal System by Ning Xu, Jie Ji, Wei Sun, Wenzhu Huang, Zhuling Jin

“…Performance analysis has been conducted from the viewpoint of thermodynamics. The experimental results show that highest photovoltaic efficiency of 30% and instantaneous thermal efficiency of 30% can be achieved at the same time, which means the total solar energy conversion efficiency of the HCPV/T system is higher than 60%. …”
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Electrosynthesis of NH3 from NO with ampere-level current density in a pressurized electrolyzer by Wenqiang Yang, Huan Liu, Xiaoxia Chang, Yunlong Zhang, Yafeng Cai, Yifan Li, Yi Cui, Bingjun Xu, Liang Yu, Xiaoju Cui, Dehui Deng

“…Here, we report an in situ-formed hierarchical porous Cu nanowire array monolithic electrode ensembled in a pressurized electrolyzer to regulate NORR reaction kinetics and thermodynamics, which delivers an industrial-level NH3 partial current density of 1007 mA cm–2 with Faradaic efficiency of 96.1% and remains stable at 1000 mA cm–2 for 100 hours. …”
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