Back to main topic

Calculation of non-equilibrium concentrations of species in kinetics

The model definitions and derivations are located in Kinetic_models/.

Calculation of concentrations of species as a function of time in the reaction volume is performed by functions in code/+differential_kinetic_equations/ package. These functions may be used as stand-alone functions to investigate reaction mixture composition separately from fitting sessions.


Example of interface is below:

[concentrations, names] = AB_model(C0_A, C0_B, log10_Ka, k2, time,... model_numeric_solver, model_numeric_options)



Analytical solution is encoded directly into ??_model() function while for a numeric solution we need to create ??_model_numeric() returning a vector of dCdt (left-hand side of the ODE system).

See example of usage is in: test_AB.html (code in tests/Differential_equations/test_AB_one_dataset.m).