In this paper, an improved multicomponent lattice Boltzmann model is employed to investigate the impact of the gas properties, specifically the gas adiabatic index, on the thermodynamic effects of cavitation bubble collapse. The study focuses on analyzing the temperature evolution in the flow field and the resulting thermal effects on the surrounding wall. The accuracy of the developed model is verified through comparisons with analytical solutions of the Rayleigh-Plesset equation and the validation of the adiabatic law. Then, a thermodynamic model of cavitation bubble composed of two-mixed gases collapsing near a wall is established to explore the influence of the gas adiabatic index on the temperature behavior. Key findings include the observation that the affects the temperature of the first collapse significantly, while its influence on the second collapse is minimal. Additionally, the presence of low-temperature regions near the bubble surface during collapse impacts both bubble and wall temperatures. The study also demonstrates that the affects maximum and minimum wall temperatures. The results have implications for selecting specific non-condensable gas properties within cavitation bubbles for targeted cooling or heating purposes, including potential applications in electronic component cooling and environmental refrigeration.
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http://dx.doi.org/10.1016/j.heliyon.2023.e20532 | DOI Listing |
J Phys Chem A
January 2025
School of Chemistry & Chemical Engineering, Anhui University, Hefei, Anhui 230601, PR China.
Superatoms are stable clusters that mimic the chemical behavior of individual atoms in the periodic table. Many endeavors have been devoted to the design and characterization of various superatoms, while engineering superatoms to mimic the chemistry of chalcogens remains a challenge. In this paper, we present a new superchalcogen by evaluating a hollow tetrahedral AlO cluster with theoretical calculations.
View Article and Find Full Text PDFChemphyschem
January 2025
Universidad de Valladolid Facultad de Ciencias, Química Física y Química Inorgánica, SPAIN.
Indane-based molecules are effective scaffolds for different pharmaceutical products, so it is relevant to analyze the relation between structure and functionality in indane derivatives. Here, we have characterized the conformational landscape and molecular structure of 1-aminoindane in the gas phase using chirped-excitation Fourier-transform microwave spectroscopy and computational methods. The rotational spectrum confirmed the presence of two conformers, which were identified based on their rotational constants and 14N nuclear quadrupole coupling tensor elements.
View Article and Find Full Text PDFSci Total Environ
January 2025
College of Emergency Management and Safety Engineering, China University of Mining and Technology (Beijing), Beijing 100083, China; Beijing Key Laboratory for Precise Mining of Intergrown Energy and Resources, China University of Mining and Technology (Beijing), Beijing 10083, China.
Slow oxidation of coal during storage and transportation poses significant risks, making it essential to identify hot spots and understand the heat generation and gas production patterns in coal stockpiles. This study leverages the advantages of adiabatic oxidation experiments, which account for time effects, to accurately describe the low-temperature oxidation process of coal through warming and gas production dimensions. Additionally, the warming and gas production patterns of three-dimensional coal stockpiles with varying stacking parameters were investigated.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Institute of Physics, University of Kassel, Heinrich-Plett Str. 40, 34132 Kassel, Germany.
The high resolution ro-vibrational spectrum of the diatomic molecule vanadium oxide (VO) in the gas phase was measured around 1000 cm. In total, 1529 ro-vibrational transitions were assigned, in a spectral range of 984-1036 cm. For many transitions, the hyperfine structure resulting from the nuclear spin of V were resolved and the molecular parameters for the first ( = 1) and second ( = 2) excited vibrational state of VO were derived.
View Article and Find Full Text PDFChem Sci
January 2025
Leiden Institute of Chemistry, Gorlaeus Laboratories P. O. Box 9502 2300 RA Leiden The Netherlands
The accurate modeling of dissociative chemisorption of molecules on metal surfaces presents an exciting scientific challenge to theorists, and is practically relevant to modeling heterogeneously catalyzed reactive processes in computational catalysis. The first important scientific challenge in the field is that accurate barriers for dissociative chemisorption are not yet available from first principles methods. For systems that are not prone to charge transfer (for which the difference between the work function of the surface and the electron affinity of the molecule is larger than 7 eV) this problem can be circumvented: chemically accurate barrier heights can be extracted with a semi-empirical version of density functional theory (DFT).
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