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Atomization and Sprays

年間 12 号発行

ISSN 印刷: 1044-5110

ISSN オンライン: 1936-2684

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.2 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.8 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 0.3 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00095 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.28 SJR: 0.341 SNIP: 0.536 CiteScore™:: 1.9 H-Index: 57

Indexed in

n-HEPTANE DROPLET VAPORIZATION USING MOLECULAR DYNAMICS

巻 20, 発行 7, 2010, pp. 581-593
DOI: 10.1615/AtomizSpr.v20.i7.20
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要約

The vaporization of a n-heptane (C7H16) droplet is investigated using molecular dynamics (MD). This constitutes one of the first studies of droplet vaporization employing a polyatomic molecule. A torsion potential is employed for intramolecular interactions and a truncated Lennard-Jones (2.5σ) for all intermolecular and a select number of intramolecular interactions. During each integration step the structure of the molecule is maintained by constraining bond lengths and bond angles iteratively, using the RATTLE algorithm. Initial equilibration of the liquid- and gas-phase systems is done separately using an NVT simulation; velocity rescaling is applied for both the internal and translational temperatures. Four simulations are performed on systems composed of a total of 1526, 1529, 3031, and 3041 molecules under pressures of 1 and 2 atm, respectively. This corresponds to a single-species droplet vaporization process occurring in a superheated gaseous environment. Results in terms of molecular-time-averaged forces show noticeable departures from spherical symmetry in the droplet shape. This is attributed in part to the lack of symmetry of the C7H16 molecule, which translates to manifestations at the droplet scale. The Amsterdan method is employed to investigate droplet size histories. Relatively close agreement with D2-law behavior is reported, even though the Knudsen numbers are in an intermediate regime between the kinetic theory and continuum limits.

によって引用された
  1. Mutoru J. W., Smith W., O’Hern C. S., Firoozabadi A., Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes, The Journal of Chemical Physics, 138, 2, 2013. Crossref

  2. Yanagihara Hiromichi, Stanković Igor, Blomgren Fredrik, Rosén Arne, Sakata Ichiro, A molecular dynamics simulation investigation of fuel droplet in evolving ambient conditions, Combustion and Flame, 161, 2, 2014. Crossref

  3. Mo Guiyuan, Qiao Li, A molecular dynamics investigation of n-alkanes vaporizing into nitrogen: transition from subcritical to supercritical, Combustion and Flame, 176, 2017. Crossref

  4. Sazhin Sergei, Kinetic Modelling of Droplet Heating and Evaporation, in Droplets and Sprays, 2014. Crossref

  5. Chakraborty Suman, Qiao Li, Molecular investigation of sub-to-supercritical transition of hydrocarbon mixtures: Multi-component effect, International Journal of Heat and Mass Transfer, 145, 2019. Crossref

  6. Sazhin Sergei S., Kinetic Modelling of Droplet Heating and Evaporation, in Droplets and Sprays: Simple Models of Complex Processes, 2022. Crossref

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