Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment

Polychlorinated biphenyls (PCB) are chlorinated organic substances which are highly toxic and also con-sidered persistent organic pollutants (POP). It should be emphasized the environmental importance fortreating wastes with PCB. For instance, Stockholm convention on POP established the elimination...

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Principais autores: Silva, Dannielle Janainne, Chiavone, Ruben Oliveira, Chiavone Filho, Osvaldo, Courtial, Camila Gambini Pereira, Nascimento, Cláudio Augusto Oller do
Formato: article
Idioma:English
Publicado em: Elsevier
Assuntos:
Polychlorinated biphenyls
Askarel
Solubility
Equation of state
Supercritical fluid
Temperature dependence
Endereço do item:https://repositorio.ufrn.br/handle/123456789/32535
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spelling ri-123456789-325352021-05-17T15:00:49Z Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment Silva, Dannielle Janainne Chiavone, Ruben Oliveira Chiavone Filho, Osvaldo Courtial, Camila Gambini Pereira Nascimento, Cláudio Augusto Oller do Polychlorinated biphenyls Askarel Solubility Equation of state Supercritical fluid Temperature dependence Polychlorinated biphenyls (PCB) are chlorinated organic substances which are highly toxic and also con-sidered persistent organic pollutants (POP). It should be emphasized the environmental importance fortreating wastes with PCB. For instance, Stockholm convention on POP established the elimination of theuse of PCB in equipments, e.g., electrical transformers and capacitors, by 2025. The decontamination ofmaterials containing PCB may be performed by supercritical extraction technology using carbon dioxide(CO2) as solvent. The first objective of this work was the formulation of a computational tool to correlatesolubility data of aromatic compounds in supercritical CO2, using Peng–Robinson equation of state. In asecond step, a description of Askarel oil, like Araclor 1254, solubility in supercritical CO2was provided forsimulation purposes of the extraction process. PCB mixture has predominance of congeners: tetra, penta,hexa, heptachloro biphenyl, tri and tetrachlorobenzene. The calculation procedure was initially appliedfor a series of aromatic compounds (naphthalene, biphenyl, anthracene and phenanthrene) in order tovalidate the approach. Experimental solubility data collection has been elaborated from the literature,providing a systematic series of the studied aromatic compounds with CO2. The binary parameters for theclassical van der Waals quadratic mixing rule (vdW2) were systematically estimated, together with a newset of Clausius–Clapeyron solute vapor pressure in order to describe the temperature dependence andachieve experimental solubility uncertainties. Finally, the estimated parameters were used to simulatesolubility values of Askarel oil as function of the operational conditions of extraction by a simultaneoussolution of the equilibrium equations for each compound. The thermodynamic modeling demonstratedto be feasible for process analysis and design 2021-05-17T15:00:48Z 2021-05-17T15:00:48Z 2014-05-05 article SILVA, DANNIELLE J. ; CHIAVONE, RUBEN O. ; CHIAVONE-FILHO, OSVALDO ; PEREIRA, CAMILA G. ; NASCIMENTO, CLAUDIO A.O. . Modeling of Askarel solubility in supercritical CO2 aiming solid residue treatment. The Journal of Supercritical Fluids, v. 93, p. 67-73, 2014. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0896844614001132?via%3Dihub#!. Acesso em: 06 abr. 2021. https://doi.org/10.1016/j.supflu.2014.04.018. 10.1016/j.supflu.2014.04.018 0896-8446 https://repositorio.ufrn.br/handle/123456789/32535 en Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ application/pdf Elsevier
institution Repositório Institucional
collection RI - UFRN
language English
topic Polychlorinated biphenyls
Askarel
Solubility
Equation of state
Supercritical fluid
Temperature dependence
spellingShingle Polychlorinated biphenyls
Askarel
Solubility
Equation of state
Supercritical fluid
Temperature dependence
Silva, Dannielle Janainne
Chiavone, Ruben Oliveira
Chiavone Filho, Osvaldo
Courtial, Camila Gambini Pereira
Nascimento, Cláudio Augusto Oller do
Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
description Polychlorinated biphenyls (PCB) are chlorinated organic substances which are highly toxic and also con-sidered persistent organic pollutants (POP). It should be emphasized the environmental importance fortreating wastes with PCB. For instance, Stockholm convention on POP established the elimination of theuse of PCB in equipments, e.g., electrical transformers and capacitors, by 2025. The decontamination ofmaterials containing PCB may be performed by supercritical extraction technology using carbon dioxide(CO2) as solvent. The first objective of this work was the formulation of a computational tool to correlatesolubility data of aromatic compounds in supercritical CO2, using Peng–Robinson equation of state. In asecond step, a description of Askarel oil, like Araclor 1254, solubility in supercritical CO2was provided forsimulation purposes of the extraction process. PCB mixture has predominance of congeners: tetra, penta,hexa, heptachloro biphenyl, tri and tetrachlorobenzene. The calculation procedure was initially appliedfor a series of aromatic compounds (naphthalene, biphenyl, anthracene and phenanthrene) in order tovalidate the approach. Experimental solubility data collection has been elaborated from the literature,providing a systematic series of the studied aromatic compounds with CO2. The binary parameters for theclassical van der Waals quadratic mixing rule (vdW2) were systematically estimated, together with a newset of Clausius–Clapeyron solute vapor pressure in order to describe the temperature dependence andachieve experimental solubility uncertainties. Finally, the estimated parameters were used to simulatesolubility values of Askarel oil as function of the operational conditions of extraction by a simultaneoussolution of the equilibrium equations for each compound. The thermodynamic modeling demonstratedto be feasible for process analysis and design
format article
author Silva, Dannielle Janainne
Chiavone, Ruben Oliveira
Chiavone Filho, Osvaldo
Courtial, Camila Gambini Pereira
Nascimento, Cláudio Augusto Oller do
author_facet Silva, Dannielle Janainne
Chiavone, Ruben Oliveira
Chiavone Filho, Osvaldo
Courtial, Camila Gambini Pereira
Nascimento, Cláudio Augusto Oller do
author_sort Silva, Dannielle Janainne
title Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
title_short Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
title_full Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
title_fullStr Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
title_full_unstemmed Modeling of askarel solubility in supercritical CO2 aiming solid residue treatment
title_sort modeling of askarel solubility in supercritical co2 aiming solid residue treatment
publisher Elsevier
publishDate 2021
url https://repositorio.ufrn.br/handle/123456789/32535
work_keys_str_mv AT silvadanniellejanainne modelingofaskarelsolubilityinsupercriticalco2aimingsolidresiduetreatment
AT chiavonerubenoliveira modelingofaskarelsolubilityinsupercriticalco2aimingsolidresiduetreatment
AT chiavonefilhoosvaldo modelingofaskarelsolubilityinsupercriticalco2aimingsolidresiduetreatment
AT courtialcamilagambinipereira modelingofaskarelsolubilityinsupercriticalco2aimingsolidresiduetreatment
AT nascimentoclaudioaugustoollerdo modelingofaskarelsolubilityinsupercriticalco2aimingsolidresiduetreatment
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