Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules

Autores
Cismondi Duarte, Martín; Rodriguez Reartes, Sabrina Belen; Milanesio, Juan Manuel; Zabaloy, Marcelo Santiago
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The phase equilibria of binary CO2 + n-alkane mixtures have been studied by an important number of authors, both experimentally and using different types of thermodynamic models. Modeling studies of the phase behavior of such highly nonideal systems have generally achieved only partially accurate results in the correlation of phase equilibrium data when considering wide ranges of temperature, pressure, and n-alkane molecular weight. In this study, a predictive correlation for the phase behavior of CO2 + n-alkane systems, based on a three-parameter cubic equation of state (EOS), that is, the RK-PR EOS, coupled to cubic mixing rules (CMRs), is developed and tested. CMRs have been shown to be capable of an accurate correlation of the phase equilibria asymmetric CO2 + n-alkane binary systems, in wide ranges of temperature and pressure, when using system-specific interaction parameters. For developing the predictive correlation a critical review of published experimental data for the series was carried out, covering a total of about 100 references. An important degree of inaccuracy or scatter is often found when comparing data sets from different laboratories, specially for the more asymmetric systems (CO2 + a long chain n-alkane). Tables of references covering CO2 + n-alkane systems from C1 to C36 are presented for different types of experimental data, including critical end points (CEPs), critical points, liquid–liquid–vapor (LLV) equilibrium, and isobaric (Txy), isothermal (Pxy), and isoplethic (PT) two-phase equilibrium data sets. Examples of disagreement between different sets of data are presented and discussed. In some cases, a decision concerning the identification of the set that should be regarded as the most reliable, can be based on the experimental method employed, on the purity of the n-alkane, and on the observation of other data for conditions, and/or systems in the series, which are close to those of the data set under scrutiny. Nevertheless, the availability of such information is not enough, in other cases, to assess the quality of a given data set, where we have either different data sets in disagreement or a unique set, for which we are in doubt about its accuracy. In such situation, a predictive correlation for the whole series of binary systems is helpful to make a decision on the possible level of reliability of a given phase equilibrium data set. The present study is useful both to make decisions on conflicts between contradictory phase equilibrium data sets and to predict the phase equilibria of binary systems that have no experimental information available in the literature.
Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina
Fil: Rodriguez Reartes, Sabrina Belen. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Milanesio, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Materia
PREDICTIVE CORRELATION
CARBON DIOXIDE
n-ALKANES
CUBIC EQUATION OF STATE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/127185

id CONICETDig_e7c8878967df3be7ed2e1c743da8251d
oai_identifier_str oai:ri.conicet.gov.ar:11336/127185
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing RulesCismondi Duarte, MartínRodriguez Reartes, Sabrina BelenMilanesio, Juan ManuelZabaloy, Marcelo SantiagoPREDICTIVE CORRELATIONCARBON DIOXIDEn-ALKANESCUBIC EQUATION OF STATEhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The phase equilibria of binary CO2 + n-alkane mixtures have been studied by an important number of authors, both experimentally and using different types of thermodynamic models. Modeling studies of the phase behavior of such highly nonideal systems have generally achieved only partially accurate results in the correlation of phase equilibrium data when considering wide ranges of temperature, pressure, and n-alkane molecular weight. In this study, a predictive correlation for the phase behavior of CO2 + n-alkane systems, based on a three-parameter cubic equation of state (EOS), that is, the RK-PR EOS, coupled to cubic mixing rules (CMRs), is developed and tested. CMRs have been shown to be capable of an accurate correlation of the phase equilibria asymmetric CO2 + n-alkane binary systems, in wide ranges of temperature and pressure, when using system-specific interaction parameters. For developing the predictive correlation a critical review of published experimental data for the series was carried out, covering a total of about 100 references. An important degree of inaccuracy or scatter is often found when comparing data sets from different laboratories, specially for the more asymmetric systems (CO2 + a long chain n-alkane). Tables of references covering CO2 + n-alkane systems from C1 to C36 are presented for different types of experimental data, including critical end points (CEPs), critical points, liquid–liquid–vapor (LLV) equilibrium, and isobaric (Txy), isothermal (Pxy), and isoplethic (PT) two-phase equilibrium data sets. Examples of disagreement between different sets of data are presented and discussed. In some cases, a decision concerning the identification of the set that should be regarded as the most reliable, can be based on the experimental method employed, on the purity of the n-alkane, and on the observation of other data for conditions, and/or systems in the series, which are close to those of the data set under scrutiny. Nevertheless, the availability of such information is not enough, in other cases, to assess the quality of a given data set, where we have either different data sets in disagreement or a unique set, for which we are in doubt about its accuracy. In such situation, a predictive correlation for the whole series of binary systems is helpful to make a decision on the possible level of reliability of a given phase equilibrium data set. The present study is useful both to make decisions on conflicts between contradictory phase equilibrium data sets and to predict the phase equilibria of binary systems that have no experimental information available in the literature.Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; ArgentinaFil: Rodriguez Reartes, Sabrina Belen. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Milanesio, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; ArgentinaFil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaAmerican Chemical Society2012-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/127185Cismondi Duarte, Martín; Rodriguez Reartes, Sabrina Belen; Milanesio, Juan Manuel; Zabaloy, Marcelo Santiago; Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules; American Chemical Society; Industrial & Engineering Chemical Research; 51; 17; 5-2012; 6232-62500888-5885CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/full/10.1021/ie2018806info:eu-repo/semantics/altIdentifier/doi/10.1021/ie2018806info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:33:17Zoai:ri.conicet.gov.ar:11336/127185instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:33:17.902CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
title Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
spellingShingle Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
Cismondi Duarte, Martín
PREDICTIVE CORRELATION
CARBON DIOXIDE
n-ALKANES
CUBIC EQUATION OF STATE
title_short Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
title_full Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
title_fullStr Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
title_full_unstemmed Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
title_sort Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules
dc.creator.none.fl_str_mv Cismondi Duarte, Martín
Rodriguez Reartes, Sabrina Belen
Milanesio, Juan Manuel
Zabaloy, Marcelo Santiago
author Cismondi Duarte, Martín
author_facet Cismondi Duarte, Martín
Rodriguez Reartes, Sabrina Belen
Milanesio, Juan Manuel
Zabaloy, Marcelo Santiago
author_role author
author2 Rodriguez Reartes, Sabrina Belen
Milanesio, Juan Manuel
Zabaloy, Marcelo Santiago
author2_role author
author
author
dc.subject.none.fl_str_mv PREDICTIVE CORRELATION
CARBON DIOXIDE
n-ALKANES
CUBIC EQUATION OF STATE
topic PREDICTIVE CORRELATION
CARBON DIOXIDE
n-ALKANES
CUBIC EQUATION OF STATE
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The phase equilibria of binary CO2 + n-alkane mixtures have been studied by an important number of authors, both experimentally and using different types of thermodynamic models. Modeling studies of the phase behavior of such highly nonideal systems have generally achieved only partially accurate results in the correlation of phase equilibrium data when considering wide ranges of temperature, pressure, and n-alkane molecular weight. In this study, a predictive correlation for the phase behavior of CO2 + n-alkane systems, based on a three-parameter cubic equation of state (EOS), that is, the RK-PR EOS, coupled to cubic mixing rules (CMRs), is developed and tested. CMRs have been shown to be capable of an accurate correlation of the phase equilibria asymmetric CO2 + n-alkane binary systems, in wide ranges of temperature and pressure, when using system-specific interaction parameters. For developing the predictive correlation a critical review of published experimental data for the series was carried out, covering a total of about 100 references. An important degree of inaccuracy or scatter is often found when comparing data sets from different laboratories, specially for the more asymmetric systems (CO2 + a long chain n-alkane). Tables of references covering CO2 + n-alkane systems from C1 to C36 are presented for different types of experimental data, including critical end points (CEPs), critical points, liquid–liquid–vapor (LLV) equilibrium, and isobaric (Txy), isothermal (Pxy), and isoplethic (PT) two-phase equilibrium data sets. Examples of disagreement between different sets of data are presented and discussed. In some cases, a decision concerning the identification of the set that should be regarded as the most reliable, can be based on the experimental method employed, on the purity of the n-alkane, and on the observation of other data for conditions, and/or systems in the series, which are close to those of the data set under scrutiny. Nevertheless, the availability of such information is not enough, in other cases, to assess the quality of a given data set, where we have either different data sets in disagreement or a unique set, for which we are in doubt about its accuracy. In such situation, a predictive correlation for the whole series of binary systems is helpful to make a decision on the possible level of reliability of a given phase equilibrium data set. The present study is useful both to make decisions on conflicts between contradictory phase equilibrium data sets and to predict the phase equilibria of binary systems that have no experimental information available in the literature.
Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina
Fil: Rodriguez Reartes, Sabrina Belen. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Milanesio, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
description The phase equilibria of binary CO2 + n-alkane mixtures have been studied by an important number of authors, both experimentally and using different types of thermodynamic models. Modeling studies of the phase behavior of such highly nonideal systems have generally achieved only partially accurate results in the correlation of phase equilibrium data when considering wide ranges of temperature, pressure, and n-alkane molecular weight. In this study, a predictive correlation for the phase behavior of CO2 + n-alkane systems, based on a three-parameter cubic equation of state (EOS), that is, the RK-PR EOS, coupled to cubic mixing rules (CMRs), is developed and tested. CMRs have been shown to be capable of an accurate correlation of the phase equilibria asymmetric CO2 + n-alkane binary systems, in wide ranges of temperature and pressure, when using system-specific interaction parameters. For developing the predictive correlation a critical review of published experimental data for the series was carried out, covering a total of about 100 references. An important degree of inaccuracy or scatter is often found when comparing data sets from different laboratories, specially for the more asymmetric systems (CO2 + a long chain n-alkane). Tables of references covering CO2 + n-alkane systems from C1 to C36 are presented for different types of experimental data, including critical end points (CEPs), critical points, liquid–liquid–vapor (LLV) equilibrium, and isobaric (Txy), isothermal (Pxy), and isoplethic (PT) two-phase equilibrium data sets. Examples of disagreement between different sets of data are presented and discussed. In some cases, a decision concerning the identification of the set that should be regarded as the most reliable, can be based on the experimental method employed, on the purity of the n-alkane, and on the observation of other data for conditions, and/or systems in the series, which are close to those of the data set under scrutiny. Nevertheless, the availability of such information is not enough, in other cases, to assess the quality of a given data set, where we have either different data sets in disagreement or a unique set, for which we are in doubt about its accuracy. In such situation, a predictive correlation for the whole series of binary systems is helpful to make a decision on the possible level of reliability of a given phase equilibrium data set. The present study is useful both to make decisions on conflicts between contradictory phase equilibrium data sets and to predict the phase equilibria of binary systems that have no experimental information available in the literature.
publishDate 2012
dc.date.none.fl_str_mv 2012-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/127185
Cismondi Duarte, Martín; Rodriguez Reartes, Sabrina Belen; Milanesio, Juan Manuel; Zabaloy, Marcelo Santiago; Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules; American Chemical Society; Industrial & Engineering Chemical Research; 51; 17; 5-2012; 6232-6250
0888-5885
CONICET Digital
CONICET
url http://hdl.handle.net/11336/127185
identifier_str_mv Cismondi Duarte, Martín; Rodriguez Reartes, Sabrina Belen; Milanesio, Juan Manuel; Zabaloy, Marcelo Santiago; Phase Equilibria of CO2 + n-Alkane Binary Systems in Wide Ranges of Conditions: Development of Predictive Correlations Based on Cubic Mixing Rules; American Chemical Society; Industrial & Engineering Chemical Research; 51; 17; 5-2012; 6232-6250
0888-5885
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/full/10.1021/ie2018806
info:eu-repo/semantics/altIdentifier/doi/10.1021/ie2018806
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613021377232896
score 13.070432