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Table B.2
Parameters of the Lennard-Jones potential for neutral-neutral interaction.
Species | Lennard-Jones | |||||
---|---|---|---|---|---|---|
parameters | Polarizabilities | |||||
ɛ∕kb | σ | Ref. | α | Ref. | ||
[K] | [Å] | [Å3] | ||||
Fe | 7556 | 2.467 | 1 | 8.40 | 5 | |
FeO | 150 | 4.436 | 1 | 9.17 | 6 | |
Mg | 1614 | 2.926 | 2 | 10.6 | 5 | |
MgO | 150 | 4.454 | 1 | 11.37 | 6 | |
Si | 3036 | 2.91 | 2 | 5.38 | 5 | |
SiO | 569 | 3.374 | 2 | 6.15 | 6 | |
SiO2 | 2954 | 3.706 | 2 | 6.92 | 6 | |
Na | 1375 | 3.567 | 2 | 24.08 | 5 | |
NaO | 50 | 3.812 | 2 | 24.85 | 6 | |
Ca | 2954 | 4.517 | 1 | 22.8 | 5 | |
CaO | 100 | 4.650 | 1 | 23.57 | 6 | |
K | 850 | 4.250 | 1 | 43.4 | 5 | |
N | 119 | 2.98 | 3 | 1.10 | 7 | |
N2 | 71.4 | 3.798 | 4 | 1.74 | 7 | |
NO | 91.0 | 3.599 | 4 | 1.70 | 7 | |
O | 70.0 | 2.660 | 3 | 0.80 | 7 | |
O2 | 106.7 | 3.467 | 4 | 1.58 | 7 |
References. (1) McGee et al. (1998); (2) Svehla (1962); (3) Smith et al. (1999); (4) Park et al. (2001); (5) Lide (2004); (6) Lasaga & Cygan (1982); (7) Wright et al. (2007).
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