equil_form.rst

Equilibrium Reaction Forms

Contents

Power Law (power_law_equil)

The method uses a power law form using the concentration form provided to calculate the reaction rate.

k_eq = ∏_(p, j)x_(p, j)^O_(p, j)

Parameters

Symbol	Parameter Name	Indices	Description
O	reaction_order	phase, component	Reaction order

Providing a reaction_order dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all component in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).

Log Power Law (log_power_law_equil)

The method uses a log form of a power law using the concentration form provided to calculate the reaction rate.

$$log(k_{eq}) = \sum_{(p, j)}{O_{(p,j)}*log(x_{(p,j))}$$

Parameters

Symbol	Parameter Name	Indices	Description
O	reaction_order	phase, component	Reaction order

Providing a reaction_order dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all component in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).