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6 #ifndef CT_TRANSPORTDATA_H
7 #define CT_TRANSPORTDATA_H
25 virtual void validate(
const Species& species) {}
42 double acentric=0.0,
double dispersion=0.0,
43 double quad_polar=0.0);
51 double acentric=0.0,
double dispersion=0.0,
52 double quad_polar=0.0);
double polarizability
The polarizability of the molecule [m^3]. Default 0.0.
double diameter
The Lennard-Jones collision diameter [m].
double dispersion_coefficient
dispersion normalized by e^2. [m^5] Default 0.0.
Base class for transport data for a single species.
void setCustomaryUnits(const std::string &geometry, double diameter, double well_depth, double dipole=0.0, double polarizability=0.0, double rot_relax=0.0, double acentric=0.0, double dispersion=0.0, double quad_polar=0.0)
Set the parameters using "customary" units: diameter in Angstroms, well depth in Kelvin,...
double dipole
The permanent dipole moment of the molecule [Coulomb-m]. Default 0.0.
std::string geometry
A string specifying the molecular geometry.
double rotational_relaxation
The rotational relaxation number (the number of collisions it takes to equilibrate the rotational deg...
double acentric_factor
Pitzer's acentric factor [dimensionless]. Default 0.0.
Class XML_Node is a tree-based representation of the contents of an XML file.
double well_depth
The Lennard-Jones well depth [J].
double quadrupole_polarizability
quadrupole. Default 0.0.
Contains data about a single chemical species.
A map of string keys to values whose type can vary at runtime.
Transport data for a single gas-phase species which can be used in mixture-averaged or multicomponent...
shared_ptr< TransportData > newTransportData(const XML_Node &transport_node)
Create a new TransportData object from a 'transport' XML_Node.
Namespace for the Cantera kernel.
virtual void validate(const Species &species)
Check transport data for invalid parameters such as a geometry inconsistent with the atomic compositi...
AnyMap input
Input data used for specific models.