Efficient navigation of the chemistry & associated thermodynamic data is critical to delivering high quality and robust mechanisms for your engineering applications. As such in kinetics, we have simplified the interface between engineer and the vast array of active species and reactions applied to modern chemical reaction mechanisms by including a user friendly mechanism and thermodynamics viewer.
Core Features
- Importing from a well defined standardised CHEMKIN (ASCII) format for easy exchange with 3rd party tools.
- Full mechanism viewer, with full searching by reaction, element, species etc.
- View only the data you wish to see with simplified interface using advanced filters and scrolling.
- Easy viewing via colored tags for reversible reactions, 3rd body, fall-off reactions, Lindemann falloff form, Troe falloff form.
- Expand the reaction tab to view and manipulate all reaction parameters
- Full visualisation of thermodynamic chemistry data
Analysis of Mechanism Integrity
There are hundreds of chemical kinetics mechanisms available on the web, hence the quality of arbitrary mechanisms must be validated upon import. Whenever a new mechanism is imported into the tool, a full integrity check is run with suggested errors/remedies displayed to the user within kinetics. This check includes;
- Element, species and reaction counts
- Repeat element, species and duplicate reaction definition check
- Repeat thermodynamic data entry check
- Species naming convention check
- Element balance check on all reactions
- Line-by-line feedback of any errors or warnings
- Midpoint thermodynamic data consistency check
- Positive heat capacity and entropy check
- Encoding/Character set checks
Supported Reaction Types
The full set of chemical reaction types are supported including those added recently to account for higher molecular weight hydrocarbons. A list of some of the supported reaction types are outlined below.
- Standard forward and reversible Arrhenius reactions
- 3rd body collisions of multiple species
- Fall-off reactions, Lindemann and Troe falloff forms
- Pressure dependent (PLOG) Arrhenius reactions
- Chebyshev polynomial models