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941
Development of the mathematical model for heat recovery system for mobile compressor stations based on refrigeration machine
Published 2024-03-01“…The model includes known thermodynamic relations for the heat load on heat exchangers, power consumed by the compressor, and the coefficient of performance of the refrigeration machine. …”
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942
A DFT Analysis on Antioxidant and Antiradical Activities from Anthraquinones Isolated from the Cameroonian Flora
Published 2019-01-01“…The stability of each anthraquinone derivative of the molecular library has been developed according to thermodynamic and kinetic concepts. The global reactivity descriptors (GRDs; electrophilicity index (ω), electronegativity (χ), global softness (S), and global hardness (η)) have been used to analyze the reactivity. …”
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943
Effects of Ni content on the microstructure and properties of laser powder bed fusion-processed Fe–18Cr–XNi alloys
Published 2025-03-01“…A phase transformation from BCC (2–4Ni) to BCC + FCC (6–10Ni), and finally to FCC (12Ni), was observed. Thermodynamic calculations indicate that the phases present correspond to those predicted for equilibrium conditions in the high-temperature range of 1250°C–1350 °C. …”
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944
Inhibition Mechanism of Pleurotus citrinipileatus Sing. Ergothioneine on Pancreatic Lipase Activity
Published 2025-02-01“…Among them the Ka value was estimated to be 1.55×103 L/mol with approximately 1 binding site at 298 K. The thermodynamic parameters including enthalpy change and enthopy change calculated by Van't Hoff's law were to be −8.57 kJ/mol and 2.55 J/(mol·K), respectively. …”
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945
Microbial community succession characteristics in an anaerobic baffled reactor during phenol gradient acclimation
Published 2025-03-01“…However, the ΔG' values for these reactions were consistently greater than −20 kJ·mol−1, indicating that propionate degradation did not occur under the experimental conditions. From a thermodynamic point of view, high hydrogen partial pressure levels in the reactor affected the propionate degradation process and also inhibited sludge bioactivity. …”
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946
Response surface methodology for the design of malachite green dye removal by γ-Fe2O3 dispersed on reduced graphene oxide sheets
Published 2025-02-01“…The adsorption data exhibited the best co-relationship with Freundlich isotherm and pseudo-2nd order kinetic model. According to a thermodynamic analysis, the MG adsorption process on the rGO/γ-Fe2O3 surface is exothermic, spontaneous, and less random. …”
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947
Solid Self-Microemulsifying Drug Delivery System for Improved Oral Bioavailability of Relugolix: Preparation and Evaluation
Published 2025-01-01“…The optimized RLGL-S-SMEDDS were evaluated in terms of particle size, zeta potential, morphology analysis, thermodynamic stability, drug release, flow properties, transporter pathways in Caco-2 cells, the influence of excipients on the intestinal transporters, transport within Caco-2 cell monolayers and transport in lymphocyte. …”
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948
Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations
Published 2025-01-01“…In addition, a detailed molecular dynamics simulation was carried out to examine the thermodynamic stability of the produced intermolecular interactions. …”
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949
The European summer heatwave of 2019 – a regional storyline perspective
Published 2025-02-01“…To isolate the more certain thermodynamic response from the less certain dynamical response to anthropogenic climate change, we employ an event-based storyline approach and focus the present study on the 2019 summer heatwaves that occurred over central Europe. …”
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950
Use of hazardous barium slag as a supplementary cementitious material in calcium aluminate cement: Evolution of engineering properties and microstructure
Published 2025-07-01“…The disposal of barium slag (BS), a hazardous industrial by-product, presents a significant environmental challenge, particularly because of its potential toxicity and underuse. Because of its thermodynamic history of rapid water quenching at high temperatures, BS exhibits high reactivity and alkali-activation potential, making it a promising supplementary cementitious material (SCM). …”
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951
Optical time-lapsed in situ mechanochemical studies on metal halide perovskite systems
Published 2025-02-01“…Our work provides insights into the mechanochemistry of compounds with low thermodynamic barriers.…”
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952
Exploring the processes controlling secondary inorganic aerosol: evaluating the global GEOS-Chem simulation using a suite of aircraft campaigns
Published 2025-01-01“…Predicting concentrations of these species is complicated by the cascade of processes that control their abundance, including emissions, chemistry, thermodynamic partitioning, and removal. In this study, we use 11 flight campaigns to evaluate the GEOS-Chem model performance for SNA. …”
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953
Assessment of the influence of gap wall mobility factor at calculation of leakage in working section of a scroll compressor. Part 1
Published 2023-03-01“…It has to be considered that the thermodynamic properties of carbon dioxide, different from hydrofluorocarbons, have a significant influence on the volume and energy values of the compressor. …”
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954
Integration of ordered porous materials for targeted three-component gas separation
Published 2025-01-01“…Both of the respective pore-integrated materials show excellent one-step ethylene production performance in dynamic breakthrough separation experiments of C2H2/C2H4/C2H6 and CO2/C2H4/C2H6 gas mixture, and even better than that from traditional tandem-packing processes originated from the optimized mass/heat transfer. Thermodynamic and dynamic simulation results explained that the pre-designed pore modules can perform specific target functions independently in the pore-integrated materials.…”
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955
Application of iron-rich slag to capture carbon dioxide gas through direct gas-solid carbonation
Published 2024-10-01“…The iron-rich slag operates under the diffusion-controlled model when it comes to capturing carbon dioxide.CONCLUSION: Iron-rich slag is reported to capture carbón dioxide at 175 degrees celsius with carbón dioxide and water vapor condition, which is proven both from thermodynamic calculations and experiments. Iron(II) carbonate is a carbonate compound generated by the carbón dioxide capture reaction by iron-rich slag. …”
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956
Study on the correlation between microstructural evolution and hydrogen storage properties in hyper-eutectic Mg-xNi (x = 15, 20, 25) alloys
Published 2025-03-01“…To understand why the plateau pressure remained constant despite variations in alloy composition, the equilibrium compositions of the Mg and Mg2Ni phases in the alloys were calculated through thermodynamic calculations. In addition, the compositions of the Mg and Mg2Ni phases within the lamellar structure were analyzed using transmission electron microscope. …”
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957
Magnetocaloric Effect for a <i>Q</i>-Clock-Type System
Published 2024-12-01“…When the <i>Q</i>-state clock model has <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>Q</mi><mo>≥</mo><mn>5</mn></mrow></semantics></math></inline-formula> possible configurations, it presents the famous Berezinskii–Kosterlitz–Thouless (BKT) phase associated with vortex states. We calculate the thermodynamic quantities using Monte Carlo simulations for even <i>Q</i> numbers, ranging from <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>Q</mi><mo>=</mo><mn>2</mn></mrow></semantics></math></inline-formula> to <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>Q</mi><mo>=</mo><mn>8</mn></mrow></semantics></math></inline-formula> spin orientations per site in a lattice. …”
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958
ALMA Observations of Massive Clouds in the Central Molecular Zone: External-pressure-confined Dense Cores and Salpeter-like Core Mass Functions
Published 2025-01-01“…Among the 834 cores identified from the 1.3 mm continuum, we constrain temperatures and linewidths of 253 cores using local thermodynamic equilibrium methods to fit the H _2 CO and/or CH _3 CN spectra. …”
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959
Impact of mineral dust on the global nitrate aerosol direct and indirect radiative effect
Published 2025-01-01“…For this purpose, multiyear simulations nudged towards the observed atmospheric circulation were performed with the global atmospheric chemistry and climate model EMAC, while the thermodynamics of the interactions between inorganic aerosols and mineral dust were simulated with the thermodynamic equilibrium model ISORROPIA-lite. …”
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960
Overview: quasi-Lagrangian observations of Arctic air mass transformations – introduction and initial results of the HALO–(𝒜 𝒞)<sup>3</sup> aircraft campaign
Published 2024-08-01“…In addition, we discuss the statistical frequency of occurrence of the different thermodynamic phases of Arctic low-level clouds, the interaction of Arctic cirrus clouds with sea ice and water vapor, and the characteristics of microphysical and chemical properties of Arctic aerosol particles. …”
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