Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures

The solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures was determined at five different temperatures from (293.15 to 313.15) K. The sulfonamide exhibited its highest mole fraction solubility in pure methanol (d1 = 29.6 MPa1/2) and its lowest mole fraction solubility...

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Autores:
Delgado, Daniel ricardo
Almanza O.A.
Martínez F.
Peña M.A.
Jouyban A.
Acree W.E.
Jr.
Tipo de recurso:
Article of journal
Fecha de publicación:
2023
Institución:
Universidad Cooperativa de Colombia
Repositorio:
Repositorio UCC
Idioma:
OAI Identifier:
oai:repository.ucc.edu.co:20.500.12494/49561
Acceso en línea:
https://doi.org/10.1016/j.jct.2016.02.002
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84958568243&doi=10.1016%2fj.jct.2016.02.002&partnerID=40&md5=81f4b62178ba7fcb1f827db4f14a587b
https://hdl.handle.net/20.500.12494/49561
Palabra clave:
ACTIVITY COEFFICIENTS
ENTHALPY
ENTHALPY-ENTROPY RELATIONSHIP
ENTROPY
GIBBS FREE ENERGY
JOUYBAN-ACREE MODEL
KIRKWOOD-BUFF INTEGRALS
METHANOL
MIXING
MIXTURES
ORGANIC SOLVENTS
PREFERENTIAL SOLVATION
SOLUBILITY
SOLUTION THERMODYNAMICS
SOLVATION
SULFAMETHAZINE
SULFUR COMPOUNDS
THERMODYNAMIC FUNCTIONS
THERMODYNAMIC QUANTITIES
THERMODYNAMICS
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openAccess
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http://purl.org/coar/access_right/c_abf2
id COOPER2_6c468e98bc1232660713901289b93f4e
oai_identifier_str oai:repository.ucc.edu.co:20.500.12494/49561
network_acronym_str COOPER2
network_name_str Repositorio UCC
repository_id_str
spelling Delgado, Daniel ricardoAlmanza O.A.Martínez F.Peña M.A.Jouyban A.Acree W.E.Jr.2023-05-24T16:21:31Z2023-05-24T16:21:31Z01/01/2016https://doi.org/10.1016/j.jct.2016.02.002https://www.scopus.com/inward/record.uri?eid=2-s2.0-84958568243&doi=10.1016%2fj.jct.2016.02.002&partnerID=40&md5=81f4b62178ba7fcb1f827db4f14a587b00219614https://hdl.handle.net/20.500.12494/49561Delgado Daniel ricardo,Almanza O.A.,Martínez F.,Peña M.A.,Jouyban A.,Acree W.E.,Jr..Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures.J CHEM THERMODYN. 2016. 97.:p. 264-276The solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures was determined at five different temperatures from (293.15 to 313.15) K. The sulfonamide exhibited its highest mole fraction solubility in pure methanol (d1 = 29.6 MPa1/2) and its lowest mole fraction solubility in water (d2 = 47.8 MPa1/2) at each of the five temperatures studied. The Jouyban-Acree model was used to correlate/predict the solubility values. The respective apparent thermodynamic functions Gibbs energy, enthalpy, and entropy of solution were obtained from the solubility data through the van't Hoff and Gibbs equations. Apparent thermodynamic quantities of mixing were also calculated for this drug using values of the ideal solubility reported in the literature. A non-linear enthalpy-entropy relationship was noted for SMT in plots of both the enthalpy vs. Gibbs energy of mixing and the enthalpy vs. entropy of mixing. These plots suggest two different trends according to the slopes obtained when the composition of the mixtures changes. Accordingly, the mechanism for SMT transfer processes in water-rich mixtures from water to the mixture with 0.70 in mass fraction of methanol is entropy driven. Conversely, the mechanism is enthalpy driven in mixtures whenever the methanol composition exceeds 0.70 mol fraction. An inverse Kirkwood-Buff integral analysis of the preferential solvation of SMT indicated that the drug is preferentially solvated by water in water-rich mixtures but is preferentially solvated by methanol in methanol-rich mixtures. © 2016 Elsevier Ltd. All rights reserved.0000-0002-4835-9739danielr.delgado@campusucc.edu.co264-276Academic PressACTIVITY COEFFICIENTSENTHALPYENTHALPY-ENTROPY RELATIONSHIPENTROPYGIBBS FREE ENERGYJOUYBAN-ACREE MODELKIRKWOOD-BUFF INTEGRALSMETHANOLMIXINGMIXTURESORGANIC SOLVENTSPREFERENTIAL SOLVATIONSOLUBILITYSOLUTION THERMODYNAMICSSOLVATIONSULFAMETHAZINESULFUR COMPOUNDSTHERMODYNAMIC FUNCTIONSTHERMODYNAMIC QUANTITIESTHERMODYNAMICSSolution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixturesArtículohttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/publishedVersionJ CHEM THERMODYNinfo:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Publication20.500.12494/49561oai:repository.ucc.edu.co:20.500.12494/495612024-08-20 16:20:29.728metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.com
dc.title.spa.fl_str_mv Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
title Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
spellingShingle Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
ACTIVITY COEFFICIENTS
ENTHALPY
ENTHALPY-ENTROPY RELATIONSHIP
ENTROPY
GIBBS FREE ENERGY
JOUYBAN-ACREE MODEL
KIRKWOOD-BUFF INTEGRALS
METHANOL
MIXING
MIXTURES
ORGANIC SOLVENTS
PREFERENTIAL SOLVATION
SOLUBILITY
SOLUTION THERMODYNAMICS
SOLVATION
SULFAMETHAZINE
SULFUR COMPOUNDS
THERMODYNAMIC FUNCTIONS
THERMODYNAMIC QUANTITIES
THERMODYNAMICS
title_short Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
title_full Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
title_fullStr Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
title_full_unstemmed Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
title_sort Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
dc.creator.fl_str_mv Delgado, Daniel ricardo
Almanza O.A.
Martínez F.
Peña M.A.
Jouyban A.
Acree W.E.
Jr.
dc.contributor.author.none.fl_str_mv Delgado, Daniel ricardo
Almanza O.A.
Martínez F.
Peña M.A.
Jouyban A.
Acree W.E.
Jr.
dc.subject.spa.fl_str_mv ACTIVITY COEFFICIENTS
ENTHALPY
ENTHALPY-ENTROPY RELATIONSHIP
ENTROPY
GIBBS FREE ENERGY
JOUYBAN-ACREE MODEL
KIRKWOOD-BUFF INTEGRALS
METHANOL
MIXING
MIXTURES
ORGANIC SOLVENTS
PREFERENTIAL SOLVATION
SOLUBILITY
SOLUTION THERMODYNAMICS
SOLVATION
SULFAMETHAZINE
SULFUR COMPOUNDS
THERMODYNAMIC FUNCTIONS
THERMODYNAMIC QUANTITIES
THERMODYNAMICS
topic ACTIVITY COEFFICIENTS
ENTHALPY
ENTHALPY-ENTROPY RELATIONSHIP
ENTROPY
GIBBS FREE ENERGY
JOUYBAN-ACREE MODEL
KIRKWOOD-BUFF INTEGRALS
METHANOL
MIXING
MIXTURES
ORGANIC SOLVENTS
PREFERENTIAL SOLVATION
SOLUBILITY
SOLUTION THERMODYNAMICS
SOLVATION
SULFAMETHAZINE
SULFUR COMPOUNDS
THERMODYNAMIC FUNCTIONS
THERMODYNAMIC QUANTITIES
THERMODYNAMICS
description The solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures was determined at five different temperatures from (293.15 to 313.15) K. The sulfonamide exhibited its highest mole fraction solubility in pure methanol (d1 = 29.6 MPa1/2) and its lowest mole fraction solubility in water (d2 = 47.8 MPa1/2) at each of the five temperatures studied. The Jouyban-Acree model was used to correlate/predict the solubility values. The respective apparent thermodynamic functions Gibbs energy, enthalpy, and entropy of solution were obtained from the solubility data through the van't Hoff and Gibbs equations. Apparent thermodynamic quantities of mixing were also calculated for this drug using values of the ideal solubility reported in the literature. A non-linear enthalpy-entropy relationship was noted for SMT in plots of both the enthalpy vs. Gibbs energy of mixing and the enthalpy vs. entropy of mixing. These plots suggest two different trends according to the slopes obtained when the composition of the mixtures changes. Accordingly, the mechanism for SMT transfer processes in water-rich mixtures from water to the mixture with 0.70 in mass fraction of methanol is entropy driven. Conversely, the mechanism is enthalpy driven in mixtures whenever the methanol composition exceeds 0.70 mol fraction. An inverse Kirkwood-Buff integral analysis of the preferential solvation of SMT indicated that the drug is preferentially solvated by water in water-rich mixtures but is preferentially solvated by methanol in methanol-rich mixtures. © 2016 Elsevier Ltd. All rights reserved.
publishDate 2023
dc.date.issued.none.fl_str_mv 01/01/2016
dc.date.accessioned.none.fl_str_mv 2023-05-24T16:21:31Z
dc.date.available.none.fl_str_mv 2023-05-24T16:21:31Z
dc.type.none.fl_str_mv Artículo
dc.type.coar.fl_str_mv http://purl.org/coar/resource_type/c_2df8fbb1
dc.type.coar.none.fl_str_mv http://purl.org/coar/resource_type/c_6501
dc.type.coarversion.none.fl_str_mv http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.driver.none.fl_str_mv info:eu-repo/semantics/article
dc.type.redcol.none.fl_str_mv http://purl.org/redcol/resource_type/ART
dc.type.version.none.fl_str_mv info:eu-repo/semantics/publishedVersion
format http://purl.org/coar/resource_type/c_6501
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1016/j.jct.2016.02.002
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84958568243&doi=10.1016%2fj.jct.2016.02.002&partnerID=40&md5=81f4b62178ba7fcb1f827db4f14a587b
dc.identifier.issn.spa.fl_str_mv 00219614
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/20.500.12494/49561
dc.identifier.bibliographicCitation.spa.fl_str_mv Delgado Daniel ricardo,Almanza O.A.,Martínez F.,Peña M.A.,Jouyban A.,Acree W.E.,Jr..Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures.J CHEM THERMODYN. 2016. 97.:p. 264-276
url https://doi.org/10.1016/j.jct.2016.02.002
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84958568243&doi=10.1016%2fj.jct.2016.02.002&partnerID=40&md5=81f4b62178ba7fcb1f827db4f14a587b
https://hdl.handle.net/20.500.12494/49561
identifier_str_mv 00219614
Delgado Daniel ricardo,Almanza O.A.,Martínez F.,Peña M.A.,Jouyban A.,Acree W.E.,Jr..Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures.J CHEM THERMODYN. 2016. 97.:p. 264-276
dc.relation.ispartofjournal.spa.fl_str_mv J CHEM THERMODYN
dc.rights.accessrights.none.fl_str_mv info:eu-repo/semantics/openAccess
dc.rights.coar.none.fl_str_mv http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
rights_invalid_str_mv http://purl.org/coar/access_right/c_abf2
dc.format.extent.spa.fl_str_mv 264-276
dc.publisher.spa.fl_str_mv Academic Press
institution Universidad Cooperativa de Colombia
repository.name.fl_str_mv Repositorio Institucional Universidad Cooperativa de Colombia
repository.mail.fl_str_mv bdigital@metabiblioteca.com
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