Numerical Simulation Accounting for the Finite-Rate Elementary Chemical Reactions for Computing Diesel Combustion Process

Kusaka, Jin; Horie, Nobuhiko; Daisho, Yasuhiro; Golovichev, V. I.; Nakayama, Shigeki

doi:10.4271/2005-24-051

Cited by 9 publications

(2 citation statements)

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“…In this study, the KIVA-3V code [5,6] developed at Los Alamos National Laboratory was used as a base code, with additions and amendments listed in Table 4. Detailed explanations of the applied models can be acquired from the references [7][8][9].…”

Section: Calculation Methodsmentioning

confidence: 99%

“…However, describing all of these complex mechanisms in detail would require the inclusion of equations covering very large numbers of elementary reactions, which would greatly compromise the utility of the code as an engineering tool. To avoid this problem, the PAH formation mechanism used in the present code was the relatively small-scale, hydrogen abstraction C 2 H 2 addition (HACA) [4] mechanism proposed by V. I. Golovitchev in the diesel surrogate oil model [7,[12][13][14][15], in which acenaphthylene radicals (A 2 R5) with two aromatic rings are produced as soot precursors, which form initial soot particles via nucleation. Soot particles thus formed either decompose via oxidation reactions, or grow via soot surface growth reactions and/ or particle coagulation processes, all encoded using phenomenological formation models.…”

Section: Soot Particle Formation and Oxidation Modelmentioning

confidence: 99%

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A three-dimensional numerical study on exhaust gas emissions from a medium-duty diesel engine using a phenomenological soot particle formation model combined with detailed chemistry

Kaminaga

Kusaka

Ishii

2008

International Journal of Engine Research

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This paper reports a three-dimensional numerical study, using the KIVA-3V code with modified chemical and physical models, of the exhaust (NOx and soot) emissions from an in-line, four-cylinder, 3.0 l, turbo-charged, direct injection diesel engine operated in spray diffusion combustion mode, by injecting fuel at top dead centre, in typical operating conditions for city driving (70 per cent load, 1500 r/min engine speed) with various exhaust gas recirculation (EGR) rates. To predict soot emission parameters, a gas-phase polycyclic aromatic hydrocarbons (PAH) precursor formation model was coupled with a detailed phenomenological particle formation model, including soot nucleation from the precursors, surface growth/oxidation, and particle coagulation, since changes in the surface area of particles and surface reaction rates had to be taken into account. In order to predict NOx emission parameters, the extended Zeldovich (thermal), intermediate N2O and NO2 from NO formation mechanisms were also included in the modelled elementary reactions. From the numerical simulation results, it was shown that the present code had sufficient performance for predicting the amount of exhaust soot and NOx with practical central processing unit (CPU) time. Comparison of the results of the numerical simulations with data obtained from empirical tests show that the applied code provides adequate predictions of soot and NOx emissions for engine design and optimization within practical CPU times. The results also show that the EGR rate does not greatly affect the soot surface growth rate, although it was previously thought to be a major determinant of soot masses. Instead, soot oxidation rates, especially rates of oxidation by OH radicals, were found to be the most influential factors affecting soot emissions under the tested engine operating conditions.

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Section: Calculation Methodsmentioning

confidence: 99%