SoluteRateReaction Class Reference

A general solute reaction system to describe multi-species kinetics with a power law. More...

Inheritance diagram for SoluteRateReaction:

Collaboration diagram for SoluteRateReaction:

Detailed Description

A general solute reaction system to describe multi-species kinetics with a power law.

Warning

Experimental feature!

cf. to https://en.wikipedia.org/wiki/Rate_equation

\[ A + 2B \rightarrow 3C \Rightarrow 0 = -1A - 2B + 3C \]

Where \( -1, -2, 3 \) are the stoichiometric coefficients \(v_i\) corresponding to the substance \(X_i\).

The reaction rate \(r^+\) is given by a power law:

\[ r = k \prod [X_i]^{m_i} \forall v_i < 0 \]

With \(m_i\) as the partial order, which is sometimes equal to the stoichiometric coefficient.

Which gives the following differential equation system

\[\frac{dX_i}{dt} = v_i r^+([X]) V \]

If the opposite reaction is taking place at the same time (equilibrium reaction), with the reaction rate \(r^-\) for the backwards reaction we get:

\[\frac{dX_i}{dt} = V \left(v_i r^+([X]) - v_i r^-([X])\right)\]

Public Member Functions
void	add_reactance (const solute &solute, real stoichiometric_coefficient, real partial_order=-999)
	Use positive stoichiometric_coefficient for products and negative for educts.
real	get_flux (const SoluteStorage &solute_storage, const cmf::math::Time &t) const override
	Calculates the reactive flux from / to the given solute storage at time t.
bool	is_compatible (const SoluteStorage &solute_storage) override
	Tests if the reaction is compatible to a solute storage. Returns true if not overwritten by a child class.
real	operator() (const SoluteStorage &solute_storage, const cmf::math::Time &t) const
	Calculates the reactive flux from / to the given solute storage at time t.

Public Attributes
real	k_back
	Rate constant for backward reaction.
real	k_forward
	Rate constant for forward reaction.