Adopting a Residual‐Energy‐Based Approach to Calculate the Solubility Parameters of n‐Alkanes

• Published in: Chemical engineering & technology 2022-05, Vol.45 (5), p.834-843
• Main Authors: Khorsand Movaghar, Mohammad Reza, Humand, Mohammad, Peiro Ahmady Langeroudy, Kiana, Khajehvandi, Ebrahim, Behnoud, Parisa
• Format: Article
• Language: English
• Subjects: Alkanes; Equations of state; Internal pressure; Molar volume; Residual energies; Residual energy; Solubility parameters; Vapor pressure
• ISSN: 0930-7516; 1521-4125
• DOI: 10.1002/ceat.202100535

Two different paths were followed to calculate the solubility parameters (SP) of 133 alkanes. The first approach calculates SP from the points of view of internal pressure and residual energy, whereby Soave‐Redlich‐Kwong and Peng‐Robinson equations of state (EOSs) are employed with and without the volume‐shift correction. In the second approach, the cohesive energy concept is used and the saturation pressure and saturated liquid molar volume are separately computed by different models and coupled to one another. The results indicated that Approach 1 predicts SP with an error of 2.24 %, which is in the same order as that of Approach 2 but slightly better. The performance of Approach 1 was assessed by estimating the SP values of 33 substances from various families and comparing the results to an EOS‐based study. Solubility parameters (SP) are widely used to help determine the behavior of binary solutions. Herein, the SP values of 133 alkanes were calculated by two different methods. The first calculates SP with internal‐pressure and residual‐energy methods and employs equations of state. In the second, the saturation pressure and saturated liquid molar volume are computed separately and coupled to one another.