What is DETCHEM?
DETCHEM is a package of software tools specifically designed for the modeling and simulation of reacting flows, in particular of heterogeneous systems. The name is derived from DETailed CHEMistry, which constitutes its fundamental potential: The use of elementary step reaction mechanisms in modeling surface and / or gas-phase chemistry.
In many applications, the huge number of chemical species and reactions makes the complete system simulation a prohibitive task for commercial CFD codes which are mostly written for general purpose applications. DETCHEM uses state of the art numerical algorithms for the solution of huge equations systems arising from the physico-chemical models for the simulation of special applications, and thus saving the computational time that otherwise could have been prohibitive with multi-purpose CFD software. Nowadays DETCHEM is widely used in academic as well as in industrial research, for example in the chemical, automotive, petrochemical and energy industries.
The core of DETCHEM is a collection of routines for the calculation of chemical reaction rates, species transport, and thermodynamic properties called the library modules. The reactor models are built on top of this library in a modular way covering a wide range of applications, such as: