Kinetics (rmgpy.kinetics)

The rmgpy.kinetics subpackage contains classes that represent various kinetics models of chemical reaction rates and models of quantum mechanical tunneling through an activation barrier.

Pressure-independent kinetics models

Class Description
KineticsData A kinetics model based on a set of discrete rate coefficient points in temperature
Arrhenius A kinetics model based on the (modified) Arrhenius expression
MultiArrhenius A kinetics model based on a sum of Arrhenius expressions

Pressure-dependent kinetics models

Class Description
PDepKineticsData A kinetics model based on a set of discrete rate coefficient points in temperature and pressure
PDepArrhenius A kinetics model based on a set of Arrhenius expressions for a range of pressures
MultiPDepArrhenius A kinetics model based on a sum of PDepArrhenius expressions
Chebyshev A kinetics model based on a Chebyshev polynomial representation
ThirdBody A low pressure-limit kinetics model based on the (modified) Arrhenius expression, with a third body
Lindemann A kinetics model of pressure-dependent falloff based on the Lindemann model
Troe A kinetics model of pressure-dependent falloff based on the Lindemann model with the Troe falloff factor

Tunneling models

Class Description
Wigner A one-dimensional tunneling model based on the Wigner expression
Eckart A one-dimensional tunneling model based on the (asymmetric) Eckart expression