What is DETCHEM?

DETCHEM stands for DETailed CHEMistry (commercial product). A package of software tools specifically designed for the modeling and simulation of reacting flows, in particular heterogeneous systems. Such as...

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Catalytic reaction engineering
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Material synthesis
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Fuel / electrolysis cells
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Emission control

Modeling complex chemical reactions and reactors had always been a challenge, and the ever increasing demand to model reactors calls in for efficient computational tools and algorithms.


  • a collection of software tools: an outcome of intense academic research
  • tailored to meet the needs of academia and industry

DETCHEM can...

  • precisely model reactors
  • precisely model processes with complex chemistry models

How DETCHEM works

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 reactors models are built on top of this library in a modular way covering wide range of applications. Nowadays DETCHEM is widely used in academic as well as in industrial research (chemical, automotive, petrochemical, energy etc.).

The potential of DETCHEM

The potential of DETCHEM lies in 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.

DETCHEM Products

The following is the DETCHEM family of products. Some of the codes are available for free download for academic purposes. Please note that the free download version has certain limitations on the number of reactions and species. Please choose the platform to download the corresponding binaries. Please read the terms and conditions of use before using the software.

You can find downloads for Linux and Windows in the Downloads section.

Please cite the application of DETCHEM in your work as given here.

O. Deutschmann, S. Tischer, S. Kleditzsch, V. Janardhanan, C. Correa, D. Chatterjee, N. Mladenov, H. D. Minh, H. Karadeniz, M. Hettel, V. Menon
DETCHEM Software package, 2.7 ed., www.detchem.com, Karlsruhe 2018.
Product Description
DETCHEM EQUIL Equilibrium and adiabatic reactor temperature calculation.
DETCHEM GASPROBE Tool for evaluating the transport and kinetic properties of the chemical species participating in a gas-phase reaction mechanism.
DETCHEM SURFPROBE Tool for evaluating the transient and steady state surface coverages of various chemical species participating in a surface reaction mechanism.
DETCHEM BATCH Reactor model for simulating the behavior of an ideal batch reactor for gas-phase as well as for surface reactions.
DETCHEM MPTR Reactor model for simulating the behaviour of a tank reactor with gas-phase and multiple condensed phases.
DETCHEM CSTR Reactor model for simulating behavior of an continuous stirred tank reactor for gas-phase as well as surface reactions.
DETCHEM PLUG Reactor model for simulating the behavior of an ideal plug flow reactor for gas-phase as well as surface reactions.
DETCHEM Stag Transient one-dimensional model for the simulation of stagnation flow reactors with models for catalytic surface reactions, external and internal diffusion, and gas-phase reactions.
DETCHEM PBED Reactor model for simulating the behavior of a packed bed reactor for gas-phase as well as surface reactions.
DETCHEM CHANNEL Two dimensional model based on boundary layer equations for simulating the behavior of tubular reactor for gas-phase as well as for surface reactions.
DETCHEM MONOLITH Transient code for simulating catalytic monoliths in 2D and 3D.
DETCHEM SOFC Two-dimensional solid-oxide fuel cell model for the simulation of button cell, planar cells as well as tubular cells for co-flow configuration.
DETCHEM RESERVOIR Transient single channel model.
DETCHEM LIB Collection of subroutines for the evaluation of kinetics and transport properties for gas-phase as well as for surface species.
DC4OpenFOAM Library which provides transport properties, gas-phase and surface chemistry to OpenFOAM to calculate an arbitrary number of coupled fluid and solid regions in three dimensions.
DUO Interface to OpenFOAM to calculate monoliths coupled with 3D flow regions upstream. The flow, the gas-phase and surface chemistry in the tubes are handled in 1D or 2D optionally.