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Chementator: New software should speed up reaction engineering

By Chemical Engineering |

Simulations of chemical processes that involve many reactants with continually changing compositions can be set up and run in minutes, rather than the previously required hours, with a newly commercialized software package, Reaction Engineering Lab, says developer Comsol (Stockholm, Sweden, and Burlington, Mass.; edlinks.chemengonline.com/5827-539). For reactions taking place in well-mixed systems or in tubular reactors with one spatial variable, the software runs as a standalone package; if it is instead integrated with Comsol’s flagship software, Multiphysics and its Chemical Engineering Module, the combination can simulate reactors of arbitrary geometry and having one-, two- or three-dimensional spatial variations in concentration and temperature. According to Comsol AB vice president of applications Ed Fontes, a key feature of Reaction Engineering Lab is its graphical user interface, which lets the engineer enter chemical-reaction formulas as if they were being written on a piece of paper. The software then sets up the corresponding kinetics and material and energy balances, based on either the mass-action law or a user-defined expression. The thermodynamic and transport properties of the reacting mixtures can also be calculated.…
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