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ChemKED: A Human- and Machine-Readable Data Standard for Chemical Kinetics Experiments

Bryan W. Weber, Kyle E. Niemeyer
2018 International Journal of Chemical Kinetics  
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.  ...  Here we introduce a new chemical kinetics experimental data format, ChemKED, and the related Python-based package for validating and working with ChemKED-formatted files called PyKED.  ...  In this work, we present a new, open-source, humanand machine-readable data standard for fundamental combustion experiments, ChemKED, and offer tools for easily working with data encoded in this format  ... 
doi:10.1002/kin.21142 fatcat:kkfuzxg3mrbzfmbg2bsimwrbaa

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

Bryan Weber, Kyle Niemeyer
2017 Figshare  
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.  ...  In this talk, 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.  ...  Figure 6 # 6 n-heptane ignition delay from Colket and Spadaccini 2001 # P (atm), T (K), Ignition Delay PyKED: Python software for working with ChemKED files ChemKED: Chemical Kinetics Experimental Data  ... 
doi:10.6084/m9.figshare.5033417.v1 fatcat:wigpdtu3gzdtrpr6rucgvembrq

Introducing ChemKED: a new human- and machine-readable data standard for chemical kinetics experiments [article]

Bryan Weber, Kyle Niemeyer
2017 Figshare  
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.  ...  In this talk, 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.  ...  Uncertainty • ChemKED supports specification of uncertainties for all quantities in a data point • Dimensionless: Composition (mole/mass fraction, mole percent) Uncertainty • ChemKED supports  ... 
doi:10.6084/m9.figshare.5082709 fatcat:fjc6ytcnmrfmfonjygw7dauktu

Introducing ChemKED: a new human- and machine-readable data standard for chemical kinetics experiments [article]

Bryan Weber, Kyle Niemeyer
2017 Figshare  
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.  ...  In this talk, 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.  ...  For Ps around 13.5 bar the dependence becomes strongly nonlinear in a temperature range between 950 and 700 K.  ... 
doi:10.6084/m9.figshare.4818448 fatcat:lcbbtolbonfcbifpi4vxjqhwpm

Role of chemical kinetics on the detonation properties of hydrogen /natural gas/air mixtures

N CHAUMEIX, S PICHON, F LAFOSSE, C PAILLARD
2007 International journal of hydrogen energy  
This work introduces PyTeCK, an open-source Python-based package for automatic testing of chemical kinetic models.  ...  The initial version of PyTeCK supports shock tube and rapid compression machine experiments that measure autoignition delay.  ...  Acknowledgments I thank Bryan Weber of the University of Connecticut for helpful discussions on the ChemKED format and an early review of this paper.  ... 
doi:10.1016/j.ijhydene.2007.04.008 fatcat:cdnbne7qabajvpweur2czr26he

Towards a scientific data framework to support scientific model development

Gabriele Scalia, Matteo Pelucchi, Alessandro Stagni, Alberto Cuoci, Tiziano Faravelli, Barbara Pernici, Silvio Peroni
2019 Data Science  
Starting from the combustion kinetics domain, this paper discusses a set of use cases and a first prototype for such a framework which leads to a set of new requirements and an architecture that can be  ...  The paper analyzes the needs, the challenges and the research directions for such a framework, in particular those related to data management, automatic scientific model validation, data aggregation and  ...  To improve human readability of structured data, ChemKED [58] has introduced a human and machine readable data standard for chemical kinetic experiments based on YAML, together with a set of validation  ... 
doi:10.3233/ds-190017 fatcat:6m3twhxv2reutlcyliqchnl63m

PyTeCK: a Python-based automatic testing package for chemical kinetic models

Kyle Niemeyer
2016 Proceedings of the 15th Python in Science Conference   unpublished
This work introduces PyTeCK, an open-source Python-based package for automatic testing of chemical kinetic models.  ...  The initial version of PyTeCK supports shock tube and rapid compression machine experiments that measure autoignition delay.  ...  Acknowledgments I thank Bryan Weber of the University of Connecticut for helpful discussions on the ChemKED format and an early review of this paper.  ... 
doi:10.25080/majora-629e541a-00c fatcat:oewknq3pnnhavnbnobuxaw2qpq