Adacta
Adacta is a tool to manage your research data. Although designed with the catalysis community in mind, Adacta is applicable to any field where data are collected by devices. By creating a digital twin of an experimental setup, Adacta produces a traceable history of all the samples and measurement equipment in your lab, even as samples and installed devices evolve over time. Simply put, Adacta future proofs your valuable experiments.
Adacta also stores metadata, which are often critical to understanding the context of the data. Advanced search features and the graphical user interface allow for intuitive exploration of a test stand and its data. For example, the timeline view displays which samples and devices were in operation at any given time. Clicking on hyperlinks found throughout the user interface allows for exploration of the relationships between data, devices, and time. Finding data associated with a specific sample or device is also made easy with the global search feature.
Digitizing your experiments is the first step to immortalizing your work. Contact us to learn more about how Adacta can preserve your valued experimental data assets.
KINETIKER
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™
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
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.
