A new multicomponent diffusion formulation for the finite-volume method

Daniel N. Pope, George Gogos

Research output: Contribution to journalConference article

Abstract

A new multicomponent formulation, which is appropriate for use with the finite-volume method, has been developed to accurately describe the diffusion velocity. The new formulation is presented and applied to the numerical simulation of n-heptane fuel droplet combustion in a zero-gravity, forced convection environment at 1 atm. Combustion is modeled using finite-rate chemical kinetics and a one-step overall reaction. Results obtained using the complete formulation are compared to the results obtained while assuming (1) thermal diffusion (Soret effect) is negligible and (2) thermal diffusion is negligible and all binary diffusion coefficients are the same. The effect these assumptions have on the results at a fixed Reynolds number (Re =10) is investigated for a low (300 K) and a high (1200 K) ambient temperature. The use of a single binary diffusion coefficient produces results that are significantly different from the results obtained using the complete formulation. These differences include a much lower maximum temperature (700 K lower), a "longer" flame and lower (8-20%) values for the evaporation constant and drag coefficient. Thermal diffusion caused only minor changes (∼1%) in the numerical predictions for the maximum temperature, evaporation constant and drag coefficient.

Original languageEnglish (US)
Article numberIMECE2004-59551
Pages (from-to)87-93
Number of pages7
JournalAmerican Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD
Volume375
Issue number1
DOIs
StatePublished - Jan 1 2004
Event2004 ASME International Mechanical Engineering Congress and Exposition, IMECE - Anaheim, CA, United States
Duration: Nov 13 2004Nov 19 2004

Fingerprint

Thermal diffusion
Finite volume method
Drag coefficient
Evaporation
Forced convection
Heptane
Reaction kinetics
Temperature
Gravitation
Reynolds number
Computer simulation

ASJC Scopus subject areas

  • Mechanical Engineering
  • Fluid Flow and Transfer Processes

Cite this

A new multicomponent diffusion formulation for the finite-volume method. / Pope, Daniel N.; Gogos, George.

In: American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD, Vol. 375, No. 1, IMECE2004-59551, 01.01.2004, p. 87-93.

Research output: Contribution to journalConference article

@article{27579e96485f43a79e643e202fe834dc,
title = "A new multicomponent diffusion formulation for the finite-volume method",
abstract = "A new multicomponent formulation, which is appropriate for use with the finite-volume method, has been developed to accurately describe the diffusion velocity. The new formulation is presented and applied to the numerical simulation of n-heptane fuel droplet combustion in a zero-gravity, forced convection environment at 1 atm. Combustion is modeled using finite-rate chemical kinetics and a one-step overall reaction. Results obtained using the complete formulation are compared to the results obtained while assuming (1) thermal diffusion (Soret effect) is negligible and (2) thermal diffusion is negligible and all binary diffusion coefficients are the same. The effect these assumptions have on the results at a fixed Reynolds number (Re ∞=10) is investigated for a low (300 K) and a high (1200 K) ambient temperature. The use of a single binary diffusion coefficient produces results that are significantly different from the results obtained using the complete formulation. These differences include a much lower maximum temperature (700 K lower), a {"}longer{"} flame and lower (8-20{\%}) values for the evaporation constant and drag coefficient. Thermal diffusion caused only minor changes (∼1{\%}) in the numerical predictions for the maximum temperature, evaporation constant and drag coefficient.",
author = "Pope, {Daniel N.} and George Gogos",
year = "2004",
month = "1",
day = "1",
doi = "10.1115/IMECE2004-59551",
language = "English (US)",
volume = "375",
pages = "87--93",
journal = "American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD",
issn = "0272-5673",
publisher = "American Society of Mechanical Engineers(ASME)",
number = "1",

}

TY - JOUR

T1 - A new multicomponent diffusion formulation for the finite-volume method

AU - Pope, Daniel N.

AU - Gogos, George

PY - 2004/1/1

Y1 - 2004/1/1

N2 - A new multicomponent formulation, which is appropriate for use with the finite-volume method, has been developed to accurately describe the diffusion velocity. The new formulation is presented and applied to the numerical simulation of n-heptane fuel droplet combustion in a zero-gravity, forced convection environment at 1 atm. Combustion is modeled using finite-rate chemical kinetics and a one-step overall reaction. Results obtained using the complete formulation are compared to the results obtained while assuming (1) thermal diffusion (Soret effect) is negligible and (2) thermal diffusion is negligible and all binary diffusion coefficients are the same. The effect these assumptions have on the results at a fixed Reynolds number (Re ∞=10) is investigated for a low (300 K) and a high (1200 K) ambient temperature. The use of a single binary diffusion coefficient produces results that are significantly different from the results obtained using the complete formulation. These differences include a much lower maximum temperature (700 K lower), a "longer" flame and lower (8-20%) values for the evaporation constant and drag coefficient. Thermal diffusion caused only minor changes (∼1%) in the numerical predictions for the maximum temperature, evaporation constant and drag coefficient.

AB - A new multicomponent formulation, which is appropriate for use with the finite-volume method, has been developed to accurately describe the diffusion velocity. The new formulation is presented and applied to the numerical simulation of n-heptane fuel droplet combustion in a zero-gravity, forced convection environment at 1 atm. Combustion is modeled using finite-rate chemical kinetics and a one-step overall reaction. Results obtained using the complete formulation are compared to the results obtained while assuming (1) thermal diffusion (Soret effect) is negligible and (2) thermal diffusion is negligible and all binary diffusion coefficients are the same. The effect these assumptions have on the results at a fixed Reynolds number (Re ∞=10) is investigated for a low (300 K) and a high (1200 K) ambient temperature. The use of a single binary diffusion coefficient produces results that are significantly different from the results obtained using the complete formulation. These differences include a much lower maximum temperature (700 K lower), a "longer" flame and lower (8-20%) values for the evaporation constant and drag coefficient. Thermal diffusion caused only minor changes (∼1%) in the numerical predictions for the maximum temperature, evaporation constant and drag coefficient.

UR - http://www.scopus.com/inward/record.url?scp=20344389551&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=20344389551&partnerID=8YFLogxK

U2 - 10.1115/IMECE2004-59551

DO - 10.1115/IMECE2004-59551

M3 - Conference article

AN - SCOPUS:20344389551

VL - 375

SP - 87

EP - 93

JO - American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD

JF - American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD

SN - 0272-5673

IS - 1

M1 - IMECE2004-59551

ER -