EFFECTIVE KINETIC MODELING OF MULTISTEP HOMOGENEOUS REACTIONS

The Bodenstein approximation for trace‐level intermediates is used to reduce multistep reaction‐kinetic networks of arbitrary topology and size to simpler forms with only pseudosingle steps between nodes and to derive explicit equations for formation or consumption rates of end members. Networks with nontrace intermediates or steps of higher orders in intermediates must be broken at the respective steps into portions to which the procedure can then be applied separately. A recipe is provided with which rate and yield‐ratio equations are readily compiled for networks of arbitrary configuration and complexity. The method is illustrated with an example of a reaction of industrial interest. Copyright © 1990 American Institute of Chemical Engineers