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Equations of State on Demand: Application for Surrogate Fuel Development



Marcia L. Huber, Thomas J. Bruno, Robert D. Chirico, Vladimir Diky, Andrei F. Kazakov, Eric W. Lemmon, Chris D. Muzny, Michael D. Frenkel


The NIST ThermoData Engine (TDE) is a large electronic database containing experimental data with detailed descriptions of relevant metadata and uncertainties that incorporates expert- system software to automatically generate dynamically evaluated data and on-demand equations of state. In this work, we demonstrate how the concept of dynamic data evaluation within the NIST ThermoData Engine (TDE) can be used to generate equations of state (EOS) on demand, and give an example where the resulting EOS formulations for pure chemical compounds are used to develop a surrogate mixture model to represent the volatility behavior, as expressed by the distillation curve, of a synthetic paraffinic aviation fuel derived from biomass.
International Journal of Thermophysics


distillation curve, equation of state, Helmholtz free energy, ThermoData Engine, surrogate model


Huber, M. , Bruno, T. , Chirico, R. , Diky, V. , Kazakov, A. , Lemmon, E. , Muzny, C. and Frenkel, M. (2011), Equations of State on Demand: Application for Surrogate Fuel Development, International Journal of Thermophysics, [online], (Accessed July 17, 2024)


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Created January 15, 2011, Updated June 2, 2021