ChemKED: a human- and machine-readable data standard for chemical kinetics experiments

摘要

Fundamental experimental measurements of quantities including ignition delay times, laminar flame speeds, and species profiles serve important roles in understanding fuel chemistry and validating chemical kinetic models. However, despite both the importance and abundance of such information in the literature, the community lacks a widely adopted standard format for this data. This impedes both sharing and wide use by the community. In this paper, we will introduce a new Chemical Kinetics Experimental Data format, ChemKED, and the related Python-based package for creating and validating ChemKED-formatted files called PyKED. We will also review past and related efforts, and motivate the need for a new solution. ChemKED currently supports the representation of autoignition delay time and laminar flame speed measurements. ChemKED-formatted files contain all of the information needed to simulate experimental data points, including uncertainty. ChemKED is based on the YAML data serialization language, and is intended as a human- and machine-readable standard for easy creation and automated use. Development of ChemKED and PyKED occurs openly on GitHub under the BSD 3-clause license, and contributions from the community are welcome. Plans for future development include support for experimental data from jet stirred reactor, extinction, and speciation measurements.