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cff-version: 1.2.0
message: 'To cite package "chapensk" in publications use:'
type: software
license: GPL-3.0-only
title: 'chapensk: Estimation of Gas Properties from the Lennard-Jones Potential'
version: '0.5'
doi: 10.32614/CRAN.package.chapensk
abstract: Calculation of gas transport properties (viscosity, diffusion, thermal conductivity)
  using Chapman-Enskok theory (Chapman 1918, <https://doi.org/10.1098/rsta.1918.0005>)
  and of the second virial coefficient (Vargas et al. 2001, <https://doi.org/10.1016/s0378-4371(00)00362-9>)
  using the Lennard-Jones (12-6) potential. Up to the third order correction is taken
  into account for viscosity and thermal conductivity. It is also possible to calculate
  the binary diffusion coefficients of polar and non-polar gases in non-polar bath
  gases (Brown et al. 2011, <https://doi.org/10.1016/j.pecs.2010.12.001>). 16 collision
  integrals are calculated with four digit accuracy over the reduced temperature range
  [0.3, 400] using an interpolation function of Kim and Monroe (2014, <https://doi.org/10.1016/j.jcp.2014.05.018>).
authors:
- family-names: Langenberg
  given-names: Stefan
  email: langenberg@uni-bonn.de
  orcid: https://orcid.org/0000-0001-5817-5469
repository: https://langenbergstefan.r-universe.dev
repository-code: https://github.com/langenbergstefan/chapensk
commit: afee6d31ef971682fe41a24decc2accee7add004
url: https://doi.org/10.32614/CRAN.package.chapensk
date-released: '2026-06-04'
contact:
- family-names: Langenberg
  given-names: Stefan
  email: langenberg@uni-bonn.de
  orcid: https://orcid.org/0000-0001-5817-5469