Corresponding states correlations with potential between functional groups for thermodynamic properties of liquid n- and i-alkanes

• Published in: Fluid phase equilibria 2002-08, Vol.201 (1), p.165-185
• Main Authors: Tada, Yutaka, Hiraoka, Setsuro, Murata, Wataru, Nishida, Naoki, Tanuma, Naoya
• Format: Article
• Language: English
• Subjects: Chemical thermodynamics; Chemistry; Corresponding states correlation; Exact sciences and technology; Functional group; General and physical chemistry; General. Theory; Liquid alkane; Surface tension; Vapor pressure; Volume
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/S0378-3812(02)00090-0

For liquid n-alkanes, C 1 to n-C 21 and i-alkanes, i-C 4 to i-C 10 the interactions between the molecules are described with the use of potentials between the functional groups (inter-group potentials). The molar volume of liquid in saturation and the vapor pressure are correlated in the corresponding states method well and the surface tension is correlated satisfactorily with the use of the inter-group potential parameters and distance correction parameters. The correlations are better than those with the use of intermolecular potential parameters without the use of the inter-group potentials. The distance correction parameters can be fitted by functions of the location and the number of the groups in the molecule. The thermodynamic properties of the heavier liquid n-alkanes, n-C 22 to n-C 30, n-C 32 and n-C 36, which are not used for the parameters evaluation, can be predicted satisfactorily in the corresponding states method with the inter-group potential parameters and the distance correction parameter functions.