omegadot develops and distributes software for applications in chemical technology. Typical applications include the simulation of the thermal behavior of a three-way catalyst during a driving test, the transient behavior of a monolith catalyst and the development of detailed kinetic models.
Our software is an outcome of intense academic research tailored to meet the needs of academia and industry.
Kinetiker is our most recent development that lets you analyze and inspect reaction mechanisms and thermodynamic data by providing useful warning and error messages for a vast variety of common pitfalls. Quickly explore the data of rate constant and thermodynamic properties.
Kinetiker is intuitive and easy to use and runs right here in your browser.
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.
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. Nowadays DETCHEM is widely used in academic as well as in industrial research (chemical, automotive, petrochemical, energy etc.).
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.
CaRMeN is designed for the rapid analysis of physical and chemical models against experimental data. It improves the manual workflow of testing various models against experimental data by automating time-consuming and error-prone tasks such as setting up problems (simulations) and post-processing the resulting data. CaRMeN combines tools to archive and package various forms of data with simulation codes in a graphical user interface. Within the user interface, experimental data can be conveniently compared with the results of any simulation code under the matching experimental conditions in a plug-and-play fashion.
Although developed to improve the development process of catalytic reaction mechanisms, CaRMeN’s applicability is much more general. CaRMeN can also be used to assess the quality of physical models. Examples include various transport models for porous media (dusty gas vs. Thiele-modulus approach), or different flow models (laminar/plug flow). Furthermore, CaRMeN can be extended to work with any simulation code by configuring a driver.