Helmholtz Energy Transformations of Common Cubic Equations of State for Use with Pure Fluids and Mixtures

• Published in: Journal of research of the National Institute of Standards and Technology 2016, Vol.121, p.238-263
• Main Authors: Bell, Ian H, Jager, Andreas
• Format: Article
• Language: English
• ISSN: 2165-7254; 1044-677X; 2165-7254
• DOI: 10.6028/jres.121.011

Comprehensive sets of derivatives of Helmholtz energy transformations of several common cubic equations of state are presented. These derivatives can be used for implementing cubic equations of state into complex multi-fluid mixture models when no multiparameter equation of state is available for a mixture component. Thus, pure fluids (or mixtures) for which no accurate model exists in literature can be modeled with a relatively small set of fluid property data. Composition derivatives have been calculated for the cases where the last mole fraction is either an independent or dependent variable. Analytic derivatives are presented up to fourth order in the independent variables combined with composition derivatives up to third order; this set covers the common requirements for derivatives needed in the state-of-the-art thermophysical property libraries. A C++ implementation of the presented analyses, data for computer code validation, and information about the computer algebra tools used to calculate the intermediate derivatives are provided as supplementary information .