Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods
Artículo de investigación en solvatación preferencial.
- Autores:
-
Lasso Pineda, Jaime Andrés
Caviedes Rubio, Diego Iván
Delgado, Daniel Ricardo
- Tipo de recurso:
- Article of journal
- Fecha de publicación:
- 2015
- Institución:
- Universidad Cooperativa de Colombia
- Repositorio:
- Repositorio UCC
- Idioma:
- OAI Identifier:
- oai:repository.ucc.edu.co:20.500.12494/952
- Acceso en línea:
- https://hdl.handle.net/20.500.12494/952
- Palabra clave:
- HDMF, ethanol; preferential solvation, inverse Kirkwood-Buff integrals, quasi-lattice-quasichemical
- Rights
- openAccess
- License
- Licencia CC
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| dc.title.spa.fl_str_mv |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| title |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| spellingShingle |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods HDMF, ethanol; preferential solvation, inverse Kirkwood-Buff integrals, quasi-lattice-quasichemical |
| title_short |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| title_full |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| title_fullStr |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| title_full_unstemmed |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| title_sort |
Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods |
| dc.creator.fl_str_mv |
Lasso Pineda, Jaime Andrés Caviedes Rubio, Diego Iván Delgado, Daniel Ricardo |
| dc.contributor.author.none.fl_str_mv |
Lasso Pineda, Jaime Andrés Caviedes Rubio, Diego Iván Delgado, Daniel Ricardo |
| dc.subject.spa.fl_str_mv |
HDMF, ethanol; preferential solvation, inverse Kirkwood-Buff integrals, quasi-lattice-quasichemical |
| topic |
HDMF, ethanol; preferential solvation, inverse Kirkwood-Buff integrals, quasi-lattice-quasichemical |
| description |
Artículo de investigación en solvatación preferencial. |
| publishDate |
2015 |
| dc.date.issued.none.fl_str_mv |
2015-05-30 |
| dc.date.accessioned.none.fl_str_mv |
2017-08-09T00:56:49Z |
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2017-08-09T00:56:49Z |
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Artículo |
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http://purl.org/coar/resource_type/c_6501 |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 |
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https://hdl.handle.net/20.500.12494/952 |
| dc.identifier.bibliographicCitation.spa.fl_str_mv |
J.A. Lasso Pineda, D.I. Caviedes, D.R. Delgado. Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods. Revista Ingeniería y Región. 2015;13(1):139-147 |
| url |
https://hdl.handle.net/20.500.12494/952 |
| identifier_str_mv |
J.A. Lasso Pineda, D.I. Caviedes, D.R. Delgado. Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods. Revista Ingeniería y Región. 2015;13(1):139-147 |
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https://www.journalusco.edu.co/index.php/iregion/article/view/715/1369 |
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Licencia CC |
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info:eu-repo/semantics/openAccess |
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Licencia CC http://purl.org/coar/access_right/c_abf2 |
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openAccess |
| dc.publisher.spa.fl_str_mv |
Universidad Cooperativa de Colombia |
| dc.publisher.program.spa.fl_str_mv |
Ingeniería Industrial |
| dc.publisher.place.spa.fl_str_mv |
Neiva |
| institution |
Universidad Cooperativa de Colombia |
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Lasso Pineda, Jaime AndrésCaviedes Rubio, Diego IvánDelgado, Daniel Ricardo2017-08-09T00:56:49Z2017-08-09T00:56:49Z2015-05-30https://hdl.handle.net/20.500.12494/952J.A. Lasso Pineda, D.I. Caviedes, D.R. Delgado. Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods. Revista Ingeniería y Región. 2015;13(1):139-147Artículo de investigación en solvatación preferencial.The parameters of preferential solvation of 4-hydroxy-2.5-dimetyl-3 (2H)-furanone (HDMF) in ethanol (EtOH) were derived from its thermodynamic properties of solution by means of inverse Kirkwood-Buff integrals and quasi-lattice-quasi-chemical (QLQC) methods. According to the IKBI method, the preferential solvation parameter δx1,3 of EtOH is negative in water-rich mixtures but positive in ethanol-rich mixtures. It is possible that the hydrophobic hydration around the methyl groups of the HDMF plays a role in the solvation in water-rich mixtures. The greatest EtOH solvation in ethanol-rich mixtures may have been due, mainly, to the effects of polarity and acid-base behavior of the hydroxyl groups in the compound against the most basic solvents in the solution. On the other hand, using the QLQC method, this compound is preferably solvated by the cosolvent in most of the water-ethanol system mixtures.1. Introduction, 2. Theoretical background, 3. Results and discussion, 4. Conclusions, 5. Referencesdanielr.delgado@campusucc.edu.coUniversidad Cooperativa de ColombiaIngeniería IndustrialNeivahttps://www.journalusco.edu.co/index.php/iregion/article/view/715/1369HDMF, ethanol; preferential solvation, inverse Kirkwood-Buff integrals, quasi-lattice-quasichemicalPreferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methodsArtículohttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionLicencia CCinfo:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2PublicationTEXT2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdf.txt2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdf.txtExtracted texttext/plain25478https://repository.ucc.edu.co/bitstreams/05a4518b-5de0-42ae-a899-43dd57c793cc/download56444b02beac17e4b8257670dac3cadbMD53THUMBNAIL2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdf.jpg2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdf.jpgIM Thumbnailimage/jpeg5084https://repository.ucc.edu.co/bitstreams/f5a3f9a9-f023-43c8-be61-e48a2d43b19f/download30c952c96a0a2c1c19ba9aa729bd95a4MD54ORIGINAL2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdf2015_Preferential solvation of 4hydroxy2,5dimethyl3(2H)-furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods.pdfapplication/pdf497448https://repository.ucc.edu.co/bitstreams/d331609f-4c86-49c6-a74a-c0f5671c9ec8/downloadd596c39c34214ade25c4ff5a453f8565MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repository.ucc.edu.co/bitstreams/89f2effc-d9c3-45a1-904a-715992cbed59/download8a4605be74aa9ea9d79846c1fba20a33MD5220.500.12494/952oai:repository.ucc.edu.co:20.500.12494/9522024-08-10 21:01:53.582open.accesshttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.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 |