Purpose. Each record in the data collection represents a reaction mechanism and include a list of chemical reaction with the associated kinetic parameters.

Data. The repository accepts data in Excel file format. Each record corresponds to a separate reaction mechanism and must include, at minimum, the following columns:

Number: Unique identification number assigned to each chemical reaction.
Reaction: Stoichiometrically balanced representation of the elementary or global reaction step, specifying all reactants and products.
Rate coefficient: Overall rate coefficient of the chemical reaction at a specified temperature. Alternatively, this information may be reported through multiple columns containing the relevant kinetic parameters, such as frequency factors and activation energies. Additional parameters may also be included depending on the kinetic relationship adopted to describe the rate coefficient (e.g. Evans–Polanyi correlations).

Community ORKIM serves a community of researchers in chemical engineering and chemistry, with a particular focus on reaction engineering and kinetic modelling.

Submissions. All submitted datasets are subject to manual validation and review by PSDI partners to ensure data quality, consistency, and completeness before inclusion in the repository. Following acceptance, the database will be further curated and maintained by the wider research community.

Eligibility. Contributions are welcomed from researchers working in chemical engineering, chemistry, catalysis, reaction engineering, kinetic modelling, and related fields. Both experimental and computational datasets are eligible for submission, provided that sufficient metadata and documentation are supplied.

Data size. The expected size of individual submissions is relatively small, and it is highly unlikely that a single dataset entry will exceed 1 GB.