Solubility of hydrogen in heavy n-alkanes: Experiments and saft modeling

• Published in: AIChE journal Vol. 49; no. 12; pp. 3260 - 3269
• Main Authors: Florusse, L. J., Peters, C. J., Pàmies, J. C., Vega, Lourdes F., Meijer, H.
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.12.2003; Wiley Subscription Services; American Institute of Chemical Engineers
• Subjects: Chemistry; Exact sciences and technology; General and physical chemistry; Solubility; Solutions; Equations of state; Thermodynamic model; Hydrogen; Modeling; Alkane; Solubility
• ISSN: 0001-1541; 1547-5905
• DOI: 10.1002/aic.690491225

New experimental measurements on the solubility of hydrogen in several normal alkanes, ranging from decane and up to hexatetracontane, are presented. Data cover a temperature range from 280 K to 450 K, and pressures up to 16 MPa were applied. Hydrogen solubilities of up to 30 mol % were measured. These mixtures are described through a molecular‐based equation of state based on the statistical associating fluid theory (SAFT). In the SAFT approach, all the compounds are modeled as homonuclear chains of united‐atom sites interacting through a Lennard‐Jones potential. Optimized values for the chain length, Lennard‐Jones diameter, and dispersive energy characterize the hydrogen molecule. In the case of n‐alkanes, a correlation for these molecular parameters is used. Two additional parameters, independent of the thermodynamic variables, were fitted to the experimental data of a single isopleth for each particular mixture. The agreement between the measured and predicted solubilities is excellent (overall AAD<1.5%) in all the thermodynamic range, and does not significantly worsen as the molecular weight of the compound increases.