Experimental and computational investigation of two-component mixtures for the alkyl (ethyl, propyl and butyl) oleate in supercritical carbon dioxide

다국어 초록 (Multilingual Abstract)

The main aim of the current study is to understand of solubility curve in solvents at supercritical conditionsand including thermodynamics modeling, as well as van der Waals-type models. A thermodynamicapproach was commissioned to predict the solubility of a model alkyl oleate monomers in supercriticalcarbon dioxide (Sc-CO2). Furthermore, the experimental data of phase equilibrium were employed herewhich are based on measuring the solubility of alkyl oleate monomers in CO2 at supercritical conditions,and the experiments were performed using common synthetic-type method. The thermodynamic equilibriumproperties for the two-component mixture of ethyl oleate, propyl oleate and butyl oleate in Sc-CO2 were reported. Bubble (dew)-point data determinations were performed through the syntheticmethod from various temperatures T= (313.2 to 393.2) K and pressures p = (3.07 to 31.71) MPa. Theobtained results indicated that the phase equilibria of Sc-CO2 were found to increase monotonically withthe augmented of system temperatures and mole fraction of (ethyl oleate, propyl oleate and butyl oleate)in binary (solute + solvent) mixtures. The solubility curve of ethyl oleate, propyl oleate, and butyl oleatein the ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyl oleate + Sc-CO2 models rises as the temperatureraises at a persistent pressure. The ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyloleate + Sc-CO2 models show type-I phase behavior. Moreover, laboratory investigated results of thesesystems were adequately compared with the P-R EOS. RMSD for the ethyl oleate + Sc-CO2 [jij = 0.060,gij=-0.030], propyl oleate + Sc-CO2 [jij = 0.062, gij=-0.030], and butyl oleate + Sc-CO2 [jij = 0.061,gij=-0.030] models using 2 factors determined at 353.2 K were 4.06 %, 7.43 %, and 5.06 % correspondingly.
Also, RMSD of ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyl oleate + Sc-CO2 systems predicted byadjusted factors at each temperature was 8.46 %, 9.43 %, and 6.29 %, respectively.

참고문헌 (Reference)

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