Automating reactor network synthesis: finding a candidate attainable region for the water–gas shift (WGS) reaction

Abstract

We use the attainable region (AR) technique to generate reactor network synthesis solutions to the WGS reaction system that is overall adiabatic. We first do this using the conventional method, as described by Nicol et al. (Comp. Chem. Eng. 21 (1001) 1997, s35), to generate the candidate AR (AR c) for exothermic reversible reactions in three dimensions. We then numerically generate the AR c using the iso-state algorithm and find the region to be within a percent of that found using the classical AR technique. We further use a linear programming model to show that no substantial extension to the AR c is possible. These latter two methods are shown to be simple enough such that they could, in principle, be incorporated in automated software. Generating the AR c using reaction and mixing processes for the WGS reaction provides the user with a benchmark for what can be attained in this system.