Mechanistic modelling of homogeneous reactors: A chemical compiler

Abstract A method for automatic processing of complex reaction mechanisms is described. A linear chemical notation has been defined, which needs only the standard available character set. The corresponding compiler accepts as entry a mechanism and its associated data, written in this language; it sets up tables of chemical species, reactions, numerical data and furnishes all the necessary informations for solving numerically the mathematical model of a reactor. A text editor allows the modification of the mechanism and associated data, in order to achieve model identification or simulation.