nicholasmalaya
commented
10 years ago - Having read though carefully,both boxlib and s3d are both using a mixture-averaged model for species diffusion coefficients al la Ramshaw.
- The pure species thermal conductivities are computed only for the purpose of later evaluating mixture-averaged thermal conductivities. The individual species conductivities are composed of translational, rotational, and vibrational contributions as given by Warnatz.
- Viscous Transport: we need to instantiate something other than blottner here. The collision integral value is determined by a quadradic interpolation of the tables based on Stockmayer potentials given in Monchick and Mason (1961). This uses Horner's algorithm to evaluate the polynomial fit.
- They are using Wilke's mixing rule, so that will not require any modification
S3d and boxlib are both using chemkin chemistry, which is detailed here. Modifications to Antioch will be contained in: src/transport/include/antioch/ and src/transport/src/. We also really need to add doxygen markup to document the models in use. Cantera is beating us badly in this department.
SylvainPlessis
We want to enhance antioch to fully support the reaction chemistry in S3D. Using Jackie Chen's paper on S3d as a model document, we the following capabilities:
S3D assumes an ideal gas mixture, so the equation of state is all set. I need to read through the documentation more carefully, and then will propose Antioch files to modify.