Phase equilibria, volumetric properties, viscosity, and thermal conductivity of hydrogen binary mixtures containing methane, nitrogen, carbon monoxide, and carbon dioxide

Abstract

TThis works proposes modifications to the values of input parameters in widely accepted semi-analytical models of thermodynamic properties of hydrogen and its binary mixtures to improve their prediction accuracy. The modifications include characterization parameters for the Peng and Robinson Equation of State (PR-EoS), the Jossi-Stiel-Thodos (JST)/Lohrenz-Bray-Clark (LBC) viscosity correlation, and the Chung-Lee-Starling (CLS) thermal conductivity correlation, applicable to pure hydrogen and its binary mixtures containing methane, nitrogen, carbon monoxide, and carbon dioxide. The changes preserve the mathematical structure of the models and ensure their compatibility with existing commercial packages. We consider temperatures ranging from 90 K (triple point of methane) to 1000 K, and pressures ranging from atmospheric up to 100 MPa. The revised characterization parameters of hydrogen lead to a reduction in the Absolute Average Deviation (AAD) of the PR-EoS calculation for hydrogen density from 2.76% (with a maximum of 8.05%) down to 0.182% (with a maximum of 1.9%). For the JST/LBC viscosity correlation, the AAD decreases from 11.82% (with a maximum of 54.3%) to 4.08% (with a maximum of 13%). Regarding thermal conductivity, the adjustments for the CLS correlation results in the AAD decreasing from 36% (with a maximum of 44%) to 2.14\% (with a maximum of 12.1%). Binary interaction parameters for gaseous mixtures containing hydrogen and phase equilibria calculation are also proposed. Finally, we investigage optimal mixing rules parameters for viscosity and thermal conductivity of mixtures for more accurate predictions of mixtures? transport properties.