Species
For each of the heavy species the following information is required:
•
The molecular weight of the species
•
The potential characteristic length of the species; required to compute the correct diffusivity and mobility
•
The potential energy minimum of the species; required to compute the correct diffusivity and mobility
In cases where the neutral gas temperature is solved for, the following additional information is required:
•
The species molar enthalpy, entropy, and specific heat, which can be entered directly as a function of temperature or by using
NASA polynomials
•
In the case of electronically excited species or ions, the properties of the ground state species can be entered, and an additional contribution to the species enthalpy can also be entered
The Plasma Module provides predefined transport and thermodynamic data for the following species:
Table 2-2:
table of gases with predefined transport and thermodynamic data
gas
formula
Helium
He
Neon
Ne
Argon
Ar
Krypton
Kr
Xenon
Xe
Carbon
C
Carbon hydride
CH
Methylene
CH2
Methyl radical
CH3
Methane
CH4
Carbon monoxide
CO
Carbon dioxide
CO2
Atomic fluorine
F
Fluorine
F2
Sulfur hexafluoride
SF6
Silicon tetrafluoride
SiF4
Atomic hydrogen
H
Hydrogen
H2
Water
H2O
Hydrogen peroxide
H2O2
Nitroxyl
HNO
Hydroperoxyl
HO2
Hydroxyl
OH
Atomic nitrogen
N
Nitrogen
N2
Nitrous oxide
N2O
Amino radical
NH
Amino radical
NH2
Ammonia
NH3
Nitric oxide
NO
Nitrogen dioxide
NO2
Atomic oxygen
O
Oxygen
O3
Ozone
O3
Silane
SiH4
Silane radical
SiH2
Disilane
Si2H6
The following surface species properties are also predefined:
Table 2-3:
table of surface species with predefined physical and thermodynamic data
Name
formula
Silicon
Si
Silicon hydride
SiH
Silicon dioxide
SiO2
Thermodynamic and transport properties for many other species can be found at the following links:
•
Thermodynamic properties:
http://burcat.technion.ac.il/
•
Transport properties:
http://uigelz.eecs.umich.edu/pub/data/e_reactions.pdf
•
Additional transport properties:
http://combustion.berkeley.edu/gri-mech/version30/files30/transport.dat