First principles predictions of thermophysical properties of refrigerant mixtures
We present pair potentials for fluorinated methanes and their dimers with CO2 based on ab initio potential energy surfaces. These potentials reproduce the experimental second virial coefficients of the pure fluorinated methanes and their mixtures with CO2 without adjustment. Ab initio calculations o...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics
2011
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| Online Access: | http://eprints.nottingham.ac.uk/30517/ http://eprints.nottingham.ac.uk/30517/ http://eprints.nottingham.ac.uk/30517/ http://eprints.nottingham.ac.uk/30517/1/1.3567308.pdf |