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aluque / bolos

An open source solver for the Boltzmann equation
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superelastic collisions from two-way reactions #3

Open tungli opened 5 years ago

tungli commented 5 years ago

In some databases there are cross sections which allow for calculation of both rate constants using the Klein-Rosseland formula - these are denoted with a double arrow (<->) Is it possible in the current version of BOLOS to make use of this for the calculation of super-elastic processes?

For example, the cross section for oxygen in Lisbon database an entry has a header:

EXCITATION
O <-> O(2P0)
 1.410000e+1  1.111100e-1
SPECIES: e / O
PROCESS: E + O <-> E + O(2P0), Excitation
PARAM.:  E = 14.1 eV, g1/g0 = 0.11111
COMMENT: [e + O(3P) -> e + O(2P0), Excitation] Laher R R  and Gilmore F R 1990 J. Phys. Chem.
COMMENT: Ref. Data 19 277.
UPDATED: 2018-01-01 12:30:36
COLUMNS: Energy (eV) | Cross section (m2)
vyaas commented 5 years ago

In some databases there are cross sections which allow for calculation of both rate constants using the Klein-Rosseland formula - these are denoted with a double arrow (<->) Is it possible in the current version of BOLOS to make use of this for the calculation of super-elastic processes?

For example, the cross section for oxygen in Lisbon database an entry has a header:

EXCITATION
O <-> O(2P0)
 1.410000e+1  1.111100e-1
SPECIES: e / O
PROCESS: E + O <-> E + O(2P0), Excitation
PARAM.:  E = 14.1 eV, g1/g0 = 0.11111
COMMENT: [e + O(3P) -> e + O(2P0), Excitation] Laher R R  and Gilmore F R 1990 J. Phys. Chem.
COMMENT: Ref. Data 19 277.
UPDATED: 2018-01-01 12:30:36
COLUMNS: Energy (eV) | Cross section (m2)

Hi tungli, Did you figure out of indeed BOLOS does this calculation? I too am interested in knowing this.

tungli commented 5 years ago

Unfortunately no, @vyaas. Seems it is not implemented.