2. Reaction speeds

2.1 Reaction equations

Advances in computer chemistry now make it possible to simulate reactions numerically, by entering them into the computer using relatively natural alphanumeric or graphical chemical languages. The analysis and coding of this information is carried out by the software in a way that is transparent to the user.

We will present a study of the reaction mechanism for the deposition of solid gallium and arsenic from gaseous reactants, an example taken from the CHEMKIN [9] software manual.

First, the names of the constituents contained in each phase are entered into the computer, starting with the gas phase, continuing with the solid surface phases, and...