PLUG: A FORTRAN program for the analysis of PLUG flow reactors with gas-phase and surface chemistry

This manual describes the structure and usage of the computer program PLUG, which simulates the behavior of plug flow chemical reactors. More specifically, the code is designed to model the non-dispersive one-dimensional flow of a chemically reacting ideal gas mixture in a conduit of essentially arbitrary geometry. The code makes use of the CHEMKIN and SURFACE CHEMKIN software packages to handle gas-phase and heterogeneous kinetics as well as thermodynamic properties. In addition, the standard implicit code DASSL is used to solve the set of differential/algebraic equations describing the reactor. These equations are briefly discussed here, after which the procedures for running PLUG are described in some detail. Input and output files for a sample problem involving chemical vapor deposition are given