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 |
---|---|
A kinetics model based on a set of discrete rate coefficient points in temperature |
|
A kinetics model based on the (modified) Arrhenius expression |
|
A kinetics model based on a sum of |
Pressure-dependent kinetics models¶
Class |
Description |
---|---|
A kinetics model based on a set of discrete rate coefficient points in temperature and pressure |
|
A kinetics model based on a set of Arrhenius expressions for a range of pressures |
|
A kinetics model based on a sum of |
|
A kinetics model based on a Chebyshev polynomial representation |
|
A low pressure-limit kinetics model based on the (modified) Arrhenius expression, with a third body |
|
A kinetics model of pressure-dependent falloff based on the Lindemann model |
|
A kinetics model of pressure-dependent falloff based on the Lindemann model with the Troe falloff factor |
Tunneling models¶
Class |
Description |
---|---|
A one-dimensional tunneling model based on the Wigner expression |
|
A one-dimensional tunneling model based on the (asymmetric) Eckart expression |
Heterogenous catalysis kinetics models¶
Class |
Description |
---|---|
A kinetics model to give Sticking Coefficients for surface adsorption, following Arrhenius form. |
|
A kinetics model based on (modified) Arrhenius for surface reactions. |