Prediction model for spontaneous combustion temperature of coal based on PSO-XGBoost algorithm by Hui Zhuo, Tongren Li, Wei Lu, Qingsong Zhang, Lingyun Ji, Jinliang Li

“…Abstract The construction of a predictive model that accurately reflects the spontaneous combustion temperature of coal in goaf is fundamental to monitoring and early warning systems for thermodynamic disasters, including coal spontaneous combustion and gas explosions. …”
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Prediction of Europium Retention in Perovskite: Potential Candidates for an Engineering Barrier in the Disposal of Radioactive Waste by Huemantzin B. Ortiz-Oliveros, Rosa Ma. Flores Espinosa, Pedro Ávila-Pérez, Daniel Cruz-Gonzalez, Noureddine Ouerfelli

“…In this work, different pseudo-order and thermodynamic models were studied to achieve the prediction of the sorption of Eu3+ (chemical analogous for actinides) in tausonite. …”
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Characterization of Precipitation in Al-Li Alloy AA2195 by means of Atom Probe Tomography and Transmission Electron Microscopy by Muna Khushaim, Torben Boll, Judith Seibert, Ferdinand Haider, Talaat Al-Kassab

“…The results show rather a strong hint for a true lower Li and Cu contents, hence supporting reasonably the hypothesis that the real chemical composition for the thin T1 platelet in the T8 tempering condition differs from the equilibrium composition of the thermodynamic stable bulk phase.…”
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An Investigation of the Enolization and Isomeric Products Distribution in the Water Promoted Aldol Reaction of Tropinone and Granatanone by Ryszard Lazny, Artur Ratkiewicz, Krzysztof Brzezinski, Aneta Nodzewska, Katarzyna Sidorowicz

“…The predicted stabilities of competing products agreed with experimental results supporting the notion of thermodynamic control. The isomeric products distributions for the aldol reaction of several aromatic aldehydes in solventless (neat) conditions were accurately calculated from free energies of the aldol addition step in the gas phase using B3LYP/6-31g(d) method and in aqueous conditions using the CPCM-B3LYP/6-31g(d) model. …”
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Production of Nanofibers Composed of CuO for the Removal of Pb(II) from Aqueous Solutions by Amábile Giotto dos Santos, Thiago Rodrigues Martins, Satheesh Krishnamurthy, Daniel Assumpção Bertuol, Eduardo Hiromitsu Tanabe

“…The kinetic data proved that Pb (II) adsorption better fitted the pseudo-second-order model, while the Hill model was confirmed to best fit the equilibrium data. Thermodynamic parameters demonstrated that the lead adsorption was favorable, spontaneous, and exothermic. …”
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Ferroan Dolomitization by Seawater Interaction with Mafic Igneous Dikes and Carbonate Host Rock at the Latemar Platform, Dolomites, Italy: Numerical Modeling of Spatial, Temporal,... by K. Blomme, S. J. Fowler, P. Bachaud, F. H. Nader, A. Michel, R. Swennen

“…This hypothesis was tested numerically through thermodynamic (MELTS, Arxim-GEM) and reactive flow (Arxim-LMA) simulations. …”
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Grain Growth of AZ31 Magnesium Alloy Based on Three-Dimensional Cellular Automata by Yanfeng Li, Cuirong Liu, Zhibing Chu, Wei Li, Zhisheng Wu, Shan Gao, Wenwu He

“…Based on the thermodynamic conversion mechanism and energy transition principle, a three-dimensional cellular automata model of grain growth is established from the aspects of grain orientation, grain size distribution, grain growth kinetics, and grain topology. …”
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Panoramic analysis of 2D dirubidium telluride monolayer benchmarking the DFT approach by G. Sneha, R. D. Eithiraj

“…Abstract Through the DFT computations, the structural, vibrational, electronic, elastic, optical and thermal (thermoelectric, thermodynamic) properties of the two-dimensional Rb2Te monolayer are briefly contemplated. …”
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Incorporation of anthocyanin into zein nanofibrous films by electrospinning: Structural characterization, functional properties, and ammonia color-responsiveness by Jun Wang, Wenpeng Zhao, Dongli Qin, Hongyan Shan, Xiaoman Zhu, Lilan Chen, Ying Liu, Songnan Li

“…Surface hydrophobicity, thermodynamic properties, and mechanical characteristics of ZA-FF were significantly improved, attributable to changes in their secondary and crystal structures from the interaction of Z and A. …”
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The low-cost biosorbents of Mangosteen (Garcinia mangostana Linn) doped magnesium oxide and titanium dioxide beads for eliminating methylene blue dye by Pornsawai Praipipat, Pimploy Ngamsurach, Junjira Noisri, Thanit Aeamsa-ard

“…Their MB dye removal efficiencies were investigated by batch experiments, desorption experiments, adsorption isotherms, kinetics, and thermodynamic studies. MTB had a higher specific surface area (15.24 m2/g) and smaller pore size (1.69 nm) than MMB. …”
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Behavior of platinum in the system of the matte-slag in the processing of copper-nickel materials by Amdur A., Selivanov E., Fedorov S., Pavlov V., Krasikov S.

“…The decreases in the content of platinum in dispersed needle formations can be explained by an increase in the thermodynamic activity and changing properties of the dispersed substance and a corresponding increase in solubility. …”
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Ion irradiation introduced high-density core-shell structured nanoprecipitates in FeCrNi by Yizhou Qian, Xiaolei Ma, Kangkang Wen, Siyu Chen, Yiheng Chen, Yugang Wang, Tongde Shen, Gang Sha, Chenxu Wang

“…This synthesis method overcomes traditional limitations posed by thermodynamic constraints and grain boundary (GB) agglomeration, providing a potential pathway for the precise tailoring of microstructures. …”
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Research on Enrichment of P2O5 from Low-Grade Carbonaceous Phosphate Ore via Organic Acid Solution by Fei Xie, Jie Zhang, Jiyan Chen, Jianrui Wang, Lin Wu

“…The reaction mechanism, examined by SEM technique and the reaction thermodynamic analysis suggested that the leaching of P2O5 mainly resulted from the process of dissolution of dolomite (the main gangue mineral) in organic acid, consequently enriching the phosphate rock (the mineral of value). …”
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Corrosion behavior of double-glow plasma copperizing coating on Q235 steel by Yang Z.-G., Liang W.-P., Jia Y.-L., Miao Q., Ding Z., Qi Y.

“…Then the whisker-like structure of α-FeOOH grew on the surface of γ-FeOOH and the β-FeOOH transformed into γ-FeOOH to achieve thermodynamical equilibrium. The dissolved copper ions in solution resulted in a unique difference in the formation of corrosion products, which inhibited the transition of iron hydroxide and promoted the formation of amorphous phases. …”
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Formulation Study of a Poly(amino methacrylate) Film-Forming Solution for Transdermal Administration by Chiara G. M. Gennari, Antonella Casiraghi, Francesca Selmin, Francesco Cilurzo

“…Results: The FFS, consisting of EuE and PEG400 in isopropyl alcohol and ethanol (80:20, <i>v</i>/<i>v</i>), exhibited rapid film formation within about 5 min and the dried film allowed a high skin permeability compared to other formulations due to the ability to increase the thermodynamic activity of both drugs. When triiodothyronine (T3) was loaded as a model of a very low soluble drug, tocopherol polyethylene glycol succinate (TPGS) was added as a co-solvent and it allowed for the improvement of T3 retention in the skin. …”
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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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Theoretical assessment of the effectiveness of application single-stage long-stroke piston compressors in refrigeration and hydrocarbon gas liquefaction systems by V. L. Yusha

“…A comparative computational analysis of temperature conditions and thermodynamic efficiency of a two-stage refrigeration cycle and single-stage refrigeration cycles is carried out during adiabatic and quasi-isothermal compression processes in the boiling temperature range 278 K ... 198 K. …”
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Selective Binding of Distamycin A Derivative to G-Quadruplex Structure [d(TGGGGT)]4 by Bruno Pagano, Iolanda Fotticchia, Stefano De Tito, Carlo A. Mattia, Luciano Mayol, Ettore Novellino, Antonio Randazzo, Concetta Giancola

“…Experiments show that netropsin and compound 1 are able to bind to [d(TGGGGT)]4 with good affinity and comparable thermodynamic profiles. In both cases the interactions are entropically driven processes with a small favourable enthalpic contribution. …”
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Phosphate valorization by dry chlorination route by Kanari N., Menad N., Diot F., Allain E., Yvon J.

“…Gathering results of the thermodynamic predictions and TG/DT analysis with those of SEM and XRD examinations of the chlorinated residues allowed the interpretation of phenomena and reactions mechanism occurring during the calcium pyrophosphate carbochlorination. …”
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Optimization and Adsorption-Based Recovery of Cobalt Using Activated Disordered Mesoporous Carbons by I. Bernabé, J.M. Gómez, E. Díez, P. Sáez, A. Rodríguez

“…On the other hand, the presence of Na+ ions in the solution and high particle size hinder the adsorption process. The thermodynamic study indicated that this process is exothermic and spontaneous, mainly caused by electrostatic interactions between adsorbent and adsorbate. …”
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