Standard definition for data collection and mining toward a virtual chemistry of Smart Energy Carriers

Challenge: Data collection, sharing and use


  • Define specific set of prerequisites and goals for the establishment of an efficient and scalable architecture of a combustion chemistry, experimental and numerical database.
  • Identify a widely accepted, from both experimentalists and modellers, set of “model experiments” and measurables to be assumed, after a detailed side-by-side experimental and numerical validation procedure, as a representative dataset.
  • Define widely accepted criteria for objective evaluation of accuracy and reliability levels of combustion chemistry datasets.

Detailed description of the WG4 activities can be found here (extract from the Action’s Memorandum of Understanding)


Towards efficient data exchange

This task force within the Action is charged with collecting and cataloging how data is used within the combustion community, specifically those in the Action, with the goal of promoting efficient data exchange, management and usage within the community.


Summary of Work Group 4 Activities

This objective has been addressed in the Workgroup 4. The keyword of the WG4( ’Standard definition for data collection and mining toward a virtual chemistry of Smart Energy Carriers’ is data. This keyword is a connecting common denominator between all the other working groups. Data collection, management and dissemination are the actual sinews connecting fundamental, modeling, diagnostics and application activities undertaken by the other workgroups.

Activities along the four years covered many aspects of these topics aiming at disseminating among SMARTCATs participants a culture of the data management capable of improving consistency of modeling and experimental data through a proper exchange and cross-validation activities. During every annual meeting of the action a dedicated space was devoted to disseminate information on relevant aspects and ongoing initiatives on data management and exploitation. A particular care was also used in getting feedback from the entire Action participants about this important topic and stimulating cooperation and synergies among data producers and users as well as chemical kinetics databases managers. According to this aim on April 5-6, 2016 a workshop in Naples on ‘Data Collection and Mining toward virtual Chemistry of Smart Energy Carriers ( was organized. This included not only presentations of results of members within the action but also had an emphasis of external experts on the management and use of data. A qualified panel of experts on data management illustrated some of the most relevant existing experiences in the field in order to identify current issues and development perspectives. A practical demonstration of existing chemical kinetics databases was organized to stimulate the use of these tools among researchers involved in the study of chemical kinetics of energy carriers both from experimental and modeling point of view.

Following the Naples workshop the task force “towards efficient data exchange”, formed by a small group of researchers, representing all domains of SMARTCATS, was established. This Task force had the task of analyzing the needs and requirements of data within the SMARTCATS community. Based on the initial screening and according to the stimulations coming from Action participants a work has been initiated to classify existing standards and experiences and propose new standards to promote and support dissemination and ease of use of data on chemical kinetics of Smart Energy Carriers. The task force met in separate yearly meetings to discuss this issue and prepare a White Paper: Guidelines, Examples and Suggestions Towards a Combustion Community Standard Data Exchange (CoStDEx) (

The first training school of the SMARTCATs Action was devoted to the “Analysis, uncertainty quantification, validation, optimization and reduction of detailed combustion mechanism for practical use of Smart Energy Carriers”. This is a rather critical issue for development of effective and thoroughly validated chemical kinetics mechanisms of smart fuels combustion.

The results of the activities of WG5 are reported in:

and in the material of Topical and co-organized workshops in the framework of Work Groups:

 ➡ Proceedings, presentations, media,  Special issues are part of the Final Action Report

Edward Blurock

Working Group Leader

Blurock Consulting


Stephen Dooley

Working Group Vice-Leader

University of Limerick