Setup of the chemical model

Definition of chemical species
Definition of chemical reactions
Definition of special boundary conditions

A consistent description of the species transport and chemical model should be set up by the user for calculation of the chemical kinetics. Generally it should be determined, what with what, where and how reacts in the system. This determination procedure can be broken down into terms of

The formal mnemonic description of the complete chemical model is entered. Then it can be stored into the file of the CrysMAS and then restored for modification or for execution.

The definition of the chemical model is straight forward once the significant chemical reactions and species are known. The setup of the chemical model will be described in detail below.