chapensk
0.5Estimation of Gas Properties from the Lennard-Jones Potential
Overview
Calculation of gas transport properties (viscosity, diffusion, thermal conductivity) using Chapman-Enskok theory (Chapman 1918, doi:10.1098/rsta.1918.0005) and of the second virial coefficient (Vargas et al. 2001, doi: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, doi: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, doi:10.1016/j.jcp.2014.05.018).
Install
Health
- OK2026-08-0513 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
- NOTE2026-08-0112 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
- OK2026-06-0913 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
- WARNING2026-06-0812 OK · 0 NOTE · 1 WARNING · 0 ERROR · 0 FAILURE
- OK2026-03-1014 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
Documentation
- Examples that run
- 50%
- Documented parameters
- not tracked
- Return-value docs
- not tracked
- References docs
- 63%
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Code & Tests
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People & History
2 releases. Pick two to compare their code metrics. R releases are shown for context.
- 0.5Latest
- RR 4.6.0 released · 2026-04-24
- 0.42026-03-10
- RR 4.5.0 released · 2025-04-11
Package metadata
- First published
- 2025-07-29
- Total releases
- 2 / 1 yrs
- License
- GPL-3 OSI
- Minimum R
- ≥ 2.12.0
- Bundled data
- 5.2 KB / 4 files
- Download size
- 113 KB
- Installed size
- not tracked yet
- With dependencies
- not tracked yet
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