Correlation of the solubility of solid hydrocarbons in supercritical CO2 using different equations of state and mixing rules Scientific paper

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Narjes Setoodeh
Abolhasan Ameri


The supercritical extraction process is a technique that has inc­reasingly been applied in various industries in recent years. Solubility deter­mination in the supercritical region is the key feature for this process. How­ever, high expenses and time consuming experiments for this task obligates the need for process modeling. In this study, a thermodynamic model is proposed to correlate the solubility of solid hydrocarbons, namely, 1-hexadecanol, 1-oct­adecanol, anthracene, benzoin, fluorene, hexamethylbenzene, mandelic acid, naphthalene, palmitic acid, phenanthrene, propyl 4-hydroxybenzoate, pyrene and stearic acid in supercritical conditions, using Peng–Robinson (PR) and Soave–Redlich–Kwong (SRK) equations of state with one-parameter van der Waals (vdW1) and two-parameters (vdW2) and covolume dependent (CVD) mixing rules. For the above combination of equations of state and mixing rules, binary interaction parameters were determined, utilizing the differential evol­ution optimization strategy. The validity of the model was assessed by com­paring the experimental solubility data with the results obtained from thermo­dynamic model based on average absolute relative deviation (AARD). An emp­irical correlation was proposed for the correlation of the solid solu­bil­ities in supercritical CO2. For each compound, the constants of this equation were obtained in such a manner to correlate the solubility at different tem­pe­ratures and pressures.


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N. Setoodeh and A. Ameri, “Correlation of the solubility of solid hydrocarbons in supercritical CO2 using different equations of state and mixing rules: Scientific paper”, J. Serb. Chem. Soc., vol. 87, no. 6, pp. 735–747, Feb. 2022.


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