Prediction of solid solute solubility in supercritical CO2 with cosolvents using the CPA EoS


Supercritical carbon dioxide (scCO(2)) is widely used in separation processes applied to the food, chemistry, pharmaceutical and material industries. The knowledge of the solubility of solid solutes in scCO(2), with or without cosolvents, is essential for the design and optimization of extraction, fractionation and purification processes. This work evaluates the accuracy of Cubic Plus Association equation of state (CPA-EoS) to predict the solubility of solutes in ternary and/or quaternary systems from the binary interaction parameters. The solubility of 12 solid solutes in scCO(2) in presence of different organic cosolvents was investigated, totalizing 19 systems at pressures between 8 and 40 MPa, temperatures ranging from 308 K to 353 K and concentrations of cosolvent varying from 0.73 to 10 mol%. The overall average logarithmic deviation (ALD) between experimental and calculated data with CPA-EoS was 0.47, which is better than that obtained with PR + COSMOSAC previously reported in the literature. Furthermore, the effects of temperature, pressure and of cosolvent type and concentration on the solubility were well estimated with the CPA-EoS. (C) 2018 Elsevier B.V. All rights reserved.



subject category

Thermodynamics; Chemistry; Engineering


Bitencourt, RG; Palma, AM; Coutinho, JAP; Cabral, FA; Meirelles, AJA

our authors


The authors acknowledge KBC Advanced Technologies Limited for providing Multiflash software used for the CPA modeling and Dr. Antonio. J. Queimada for fruitful discussions. Raphaela G. Bitencourt and Andre M. Palma are grateful respectively to CNPq (140345/2014-0) and KBC for their grants.; In Brazil, this work was financially supported by CAPES, FAEPEX (Project number 2781/2017, 519.292), FAPESP (Project number 2010/16665-3 and 2014/21252-0) and CNPq (Project numbers 406856/2013-3, 305870/2014-9, 303734/2016-7 and 406963/2016-9).; In Portugal, this work was developed within the scope of the project CICECO-Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT Ref. UID/CTM/50011/2013), financed by national funds through the FCT/MEC and when appropriate co-financed by FEDER under the PT2020 Partnership Agreement.

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