<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Estimation of Gas Properties from the Lennard-Jones Potential</dc:title>
  <dc:title>R package chapensk version 0.5</dc:title>
  <dc:description>Calculation of gas transport properties (viscosity, diffusion, thermal conductivity) using Chapman-Enskok theory (Chapman 1918, &lt;doi:10.1098/rsta.1918.0005&gt;) and of the second virial coefficient (Vargas et al. 2001, &lt;doi:10.1016/s0378-4371(00)00362-9&gt;) 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, &lt;doi:10.1016/j.pecs.2010.12.001&gt;). 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, &lt;doi:10.1016/j.jcp.2014.05.018&gt;).  </dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: R (&gt;= 2.12.0), methods, Bessel</dc:relation>
  <dc:creator>Stefan Langenberg &lt;langenberg@uni-bonn.de&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Stefan Langenberg [aut, cre] (ORCID:
    &lt;https://orcid.org/0000-0001-5817-5469&gt;)</dc:contributor>
  <dc:rights>GPL-3</dc:rights>
  <dc:date>2026-06-04</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=chapensk</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.chapensk</dc:identifier>
</oai_dc:dc>
