A New Approach for Studying Bond Rupture/Closure of a Spiro Benzopyran Photochromic Material: Reactivity Descriptors Derived from Frontier Orbitals and DFT Computed Electrostatic P... by M. S. A. Abdel-Mottaleb, Sarah N. Ali

“…Interestingly, it seems that the electrostatic potential forces over the molecular fragments govern spirobond rupture/closure reactions. Thermodynamically, all-trans-colored isomer (CTT) is the most stable merocyanine-like form.…”
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Solid–liquid phase change in planetary cores by Huguet, Ludovic, Kriaa, Quentin, Alboussière, Thierry,  Le Bars, Michael

“…Crystallization and melting entail intricate multiphase flows, buoyancy effects, and out-of-equilibrium thermodynamics, posing challenges for theoretical modeling and numerical simulations. …”
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Microstructure regulation mechanism of CuW composites prepared by aluminothermic coupling with magnesiothermic reduction by Xin-Yu Wang, Chu Cheng, Yan-Shuo Feng, Meng-Xin Wang, Ming-Yu Li, Tao Huang, Ling-Ling Xiong, Kai Li, Zhi-He Dou, Ting-An Zhang, Ke-Xing Song

“…In this paper, an innovative idea for regulating the microstructure of CuW composites by aluminothermic coupling with magnesiothermic reduction was proposed. The thermodynamics and dynamics of the reaction system for preparation of CuW composites by this method were studied, and the microstructure of CuW composites were systematically analysed and evaluation. …”
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Statistical Modeling and Kinetic Studies on the Adsorption of Reactive Red 2 by a Low-Cost Adsorbent: Grape Waste-Based Activated Carbon Using Sulfuric Acid Activator-Assisted Ther... by Seyyed Alireza Mousavi, Davood Shahbazi, Arezoo Mahmoudi, Parviz Mohammadi, Tooraj Massahi

“…The kinetic studies using pseudofirst-order and pseudosecond-order models pointed out that the type (I) of pseudosecond-order kinetic model provided the best fit to the adsorption data. Parameters of thermodynamics including Gibbs energy (ΔG°) and ko were calculated. …”
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Coloring hot-dip galvanization of steel samples in industrial zinc-manganese baths by Godzsák M., Lévai G., Vad K., Csik A., Hakl J., Kulcsár T., Kaptay G.

“…This minimum critical Mn-content is in agreement with chemical thermodynamics.…”
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Experimental investigation and scenario-based optimization of energy flexibility in embedded radiant cooling systems by Yun Xie, Yanxue Li, Hongshe Cui

“…The state-space model was identified as the most accurate and reliable model for capturing system thermodynamics. Scenario-based Model Predictive Control (MPC) energy managements were designed and evaluated optimized results. …”
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GaitVision: Real-Time Extraction of Gait Parameters Using Residual Attention Network by Mohammad Farukh Hashmi, B. Kiran Kumar Ashish, Prabhu Chaitanya, Avinash Keskar, Sinan Q. Salih, Neeraj Dhanraj Bokde

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Phantom hairy black holes and wormholes in Einstein-bumblebee gravity by Chikun Ding, Changqing Liu, Yuehua Xiao, Jun Chen

“…By defining the Killing potential $$\omega ^{ab}$$ ω ab , we study the Smarr formula and the first law for the BP black hole, find that the appearance of LV can improve the structure of these phantom hairy black holes – the conventional Smarr formula and the first law of black hole thermodynamics still hold; but for no LV case, i.e., the regular phantom black hole reported in (Phys Rev Lett 96:251101), the first law cannot be constructed at all. …”
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The Natural Science Underlying Big History by Eric J. Chaisson

“…No new science (beyond frontier, nonequilibrium thermodynamics) is needed to describe cosmic evolution’s major milestones at a deep and empirical level. …”
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Protection of stainless steel surfaces in desalination units against corrosion during acid cleaning under dynamic conditions by using lavender angustifolia extract as a green inhib... by M. A. Deyab, Q. Mohsen

“…Abstract This study investigates the thermodynamics, kinetics, and adsorption mechanisms of Lavender angustifolia extract (LAE) as a corrosion inhibitor for stainless steel (316SS) in desalination units. …”
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Removal of boron from wastewaters using valonia-tannin-based biosorbent produced via spray drying by Nalan Erdol-Aydin, Serhat Sezer, Berk Esin, Gulhayat Nasun-Saygili

“…The study also delved into adsorption kinetics, adsorption isotherm models, and adsorption thermodynamics. Maximum boron removal, reaching 92.9%, was achieved using 1 g of tannic acid resin-based biosorbent with an initial boron concentration of 8 mg L −1 within 6 h at pH 3. …”
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Hawking-Page transition in 4D Einstein-Gauss-Bonnet gravity by Xiao-yan Hu, Yuan-zhang Cui, Wei Xu

“…These advancements hold promise for deepening insights into black hole thermodynamics in the framework of quantum gravity.…”
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Use of Anionic Surfactant-Modified Activated Carbon for Efficient Adsorptive Removal of Crystal Violet Dye by Rumi Goswami, Amit Kumar Dey

“…Error analysis and studies of isotherms have shown that the adsorption equilibrium was controlled by Langmuir isotherm study with maximum CV dye adsorption capacity of 235.7 mg/g. Thermodynamics studies revealed endothermicity of the process with negative ΔG values and positive ΔS and ΔH values. …”
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Dynamic Characteristics of Offshore Natural Gas Hydrate Dissociation by Depressurization in Marine Sediments by Xinfu Liu, Chunhua Liu, Jianjun Wu

“…The proposed methodology can analyze the processes of hydrate and water phase transitions, decomposition kinetics and thermodynamics, viscosity and permeability, ice-water phase equilibrium, and natural gas and water production. …”
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A Strain Rate-Dependent Damage Evolution Model for Concrete Based on Experimental Results by Peng Wan, Xiaoyan Lei, Bin Xu, Hui Song

“…A viscoelastic stress-strain relationship, which considered the proposed damage evolution model, was presented according to the principles of irreversible thermodynamics. The model results agreed well with the experiment and indicated that the proposed damage evolution model can accurately characterize the development of macroscopic mechanical weakening of concrete. …”
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Study on the Behaviors and Mechanism of Ni(II) Adsorption at the Hydroxyapatite-Water Interface: Effect of Particle Size by Xiaolan Zhao, Wangsuo Wu, Duoqiang Pan, Hanyu Wu

“…As for micro-HAP, Ni2+ adsorbed through slow diffusion and replacement with Ca2+ and then incorporated in the lattice at pH between 6.5 and 9.0, which was confirmed by the results of kinetics, thermodynamics, and desorption. And a more compact crystalline structure and irreversible desorption behavior of micro-HAP after Ni(II) adsorption was confirmed by results of XRD and desorption isotherms, respectively. …”
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Towards a More Efficient Design of High Temperature Concentrating Solar Power Plant With Cascaded Thermal Energy Storage by Brenda Hernandez Corona, Thomas Fasquelle, Muhammad Abdullah, Nicolas Lopez Ferber, Jean-Francois Hoffmann, Mathieu Martins, Ahmad Mayyas, Nicolas Calvet

“…The objective is to identify the most thermodynamically efficient designs by analyzing the literature on the different components and comparing them to a reference base case of a conventional 100 MWe solar power tower plant (2-tank molten salt TES) operating at 565°C. …”
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Complex cure kinetics of self-healing copolyester vitrimers via isothermal thermogravimetric analysis by Louis O. Vaught, Jacob L. Meyer, Omar El Arwadi, Tanaya Mandal, Ahmad Amiri, Mohammad Naraghi, Andreas A. Polycarpou

“…When combined with significant observed mass loss below the expected cure temperature and findings in prior work, this indicates that the apparent cure process may be driven by thermodynamically-favorable bond exchange reactions.…”
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Studies on the Removal of Cadmium Toxic Metal Ions by Natural Clays from Aqueous Solution by Adsorption Process by Rajaa Bassam, Achraf El hallaoui, Marouane El Alouani, Maissara Jabrane, El Hassan El Khattabi, Malika Tridane, Said Belaaouad

“…The cadmium adsorption process was thermodynamically spontaneous and exothermic. The regeneration process showed that these natural clays had excellent recycling capacity. …”
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Mixing-enthalpy modulation on phase transformation in the gradient chemical core/shell high-entropy shape-memory alloys by E-Wen Huang, Tu-Ngoc Lam, Zachary H. Aitken, Mao-Yuan Luo, Nien-En Chiang, Yuh Sun, Jo-Chi Tseng, Ching-Yu Chiang, Wan-Zhen Hsieh, Wen-Jay Lee, Yong-Wei Zhang, Peter K. Liaw, Che-Wei Tsai

“…The dendritic microstructure in Cu15Ni35Ti20(HfZr)30 exhibits the mixing enthalpy-driven pronounced composition inhomogeneity of an Ni-Hf-rich core and Cu-Zr-Ti-rich shell, demonstrated by thermodynamics calculations and second nearest-neighbor modified embedded atom method (2NN MEAM) formalism. …”
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