Source for finding Lennard-Jones (L-J) parameters and NASA 7 coefficient polynomials for YAML input data

[Gibin Varghese]

Hi all,

Please find below some of my doubts.

1. Anyone have a good source (database) for  Lennard-Jones parameters?

2. Do any one have a souce for NASA 7 coefficient polynomials for SF6 and related other gases.

3. Can i use OpenFoam 6 or Burcal 7 database for the yaml file instead of NASA-7 database.

Thanks in advance.

Regards,

Gibin varghese

[lalit....@gmail.com]

Hi Gibin,

Have a look at this source: https://tcg.cse.anl.gov/papr/codes/onedmin.html

This might help you calculate Lennard-Jones parameters for molecules/species consisting of C and H atoms.

If you want to calculate the transport parameters for molecules consisting of C,H,O and N atoms, you can take a look at our paper.

https://doi.org/10.1016/j.combustflame.2018.11.026 

I hope this helps.

Best,

Lalit

[Gibin Varghese]

Hi Lalit,

Thanks a lot for your resposne.

I am sure this will help me for some of my studies.

But I am also in need of the  Lennard-Jones parameters for molecules/species consisting of S and F atoms. 

Do you know, if I can find these stuffs from anywhere.

Thanks and Regards,

Gibin Varghese