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Chem 1 D

Chem1D is an in-house developed FORTRAN code for numerically simulating one-dimensional flames. It can model premixed, non-premixed, and counterflow flames using detailed chemical reaction mechanisms. The code uses finite volume methods and implicit time integration to solve the governing equations. Input files define the chemical mechanism, transport models, numerical schemes, and initial solution, while output includes the final solved solution and log files.

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mervezeynep88
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913 views7 pages

Chem 1 D

Chem1D is an in-house developed FORTRAN code for numerically simulating one-dimensional flames. It can model premixed, non-premixed, and counterflow flames using detailed chemical reaction mechanisms. The code uses finite volume methods and implicit time integration to solve the governing equations. Input files define the chemical mechanism, transport models, numerical schemes, and initial solution, while output includes the final solved solution and log files.

Uploaded by

mervezeynep88
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Chem1d

Numerical simulation of 1D ames with CHEM 1 D


Jeroen van Oijen
Combustion Technology, Mechanical Engineering Technische Universiteit Eindhoven, The Netherlands

JMBC Course on Combustion 2010

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

In-house developed amelet code

Developed by many people since 1990 Written in FORTRAN77 There is no ofcial manual A good description in thesis of Bart Somers

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

Numerical code to solve quasi 1D ames

[MODEL_FLAMETYPE] Premixed adiabatic ames (sL ) Premixed burner-stabilized ames Counterow ames (premixed/non-premixed) Spherically expanding/imploding ames Steady and unsteady simulations

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

Chemistry modeling
Detailed reaction mechanisms for any type of fuel can be used [PREPROCESSING_REACTIONMECHANISMFILE] format is converted to own format .chm In the exercise several methane mechanisms can be used:
CHEMKIN

Skeletal mechanism DRM19 21 species, 84 reactions drm19.chm GRI 3.0 mechanism 53 species, 325 reactions incl. NOx gri30.chm

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

Transport modeling
Different approximations can be used [MODEL_TRANSPORT] Multi-component diffusion including thermal diffusion effects COMPLEX Fick diffusion with mixture-averaged diffusion coefcients MIXTUREAVERAGED Fick diffusion with constant Lewis numbers LEWIS Lewis numbers are read from le [LEWIS_TRANSPORTFILE]

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

Numerical methods
Finite volume method Differential schemes: upwind, central, exponential [SOLVER_DIFFERENTIALSCHEME] Time integration: BDF1 or BDF2 [SOLVER_TIMEINTEGRATION] Fully implicit Modied Newton solver for the algebraic system Initial guess is important [PREPROCESSING_STARTSOLUTIONFILE] Small parameter changes

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

Chem1d

Input/Output

Input:
Chemical and thermodynamical data: *.chm Initial guess/solution: yistart.dat Case les: defaults.csf and settings.csf Text les that can be changed by any editor (WinEdt)

Output:
Log le: chem1d.log Final solution: yiend.dat and/or xiend.dat, . . . Can be visualized by for instance Matlab (plotexample.m)

Jeroen van Oijen Numerical simulation of 1D ames with CHEM 1 D

Combustion Technology

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