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dc.contributor.author
Perez, Federico Martín
dc.contributor.author
Gatti, Martin Nicolas
dc.contributor.author
Nichio, Nora Nancy
dc.contributor.author
Pompeo, Francisco
dc.date.available
2023-11-02T12:46:12Z
dc.date.issued
2022-09
dc.identifier.citation
Perez, Federico Martín; Gatti, Martin Nicolas; Nichio, Nora Nancy; Pompeo, Francisco; Bio-additives from glycerol acetylation with acetic acid: Chemical equilibrium model; Elsevier; Results in Engineering; 15; 100502; 9-2022; 1-10
dc.identifier.issn
2590-1230
dc.identifier.uri
http://hdl.handle.net/11336/216854
dc.description.abstract
In this work, the chemical equilibrium of glycerol (G) acetylation with acetic acid (AA) to form mono- (MAG), di- (DAG) and tri- (TAG) acetylglycerols has been studied. These compounds are biodegradable and renewable options as high-quality bio-additives to improve the antiknock properties and the viscosity of fuels and biofuels. Due to the absence of thermodynamic data, the physicochemical and thermodynamic properties of the compounds were determined, such as the specific heat, and the enthalpy and entropy of formation, by employing a second-order group-additivity predictive method. The values obtained were validated with few experimental data available in the literature (298 K, 101.325 kPa), showing differences in the range 0.2–8.9%. The compositions at equilibrium were calculated by minimizing the total Gibbs free energy of the system and considering the non-ideality of the liquid phase. For this purpose, different temperatures (350–500 K), reactant molar ratios (1–12) and initial water contents (0 and 40 wt%) were studied. The results revealed the global exothermicity of the system, showing that total glycerol conversion (∼100%) and high yields to TAG (>90%) can be achieved in the 350–500 K range by employing AA:G molar ratios between 9 and 12. As the presence of water in the glycerol solution produces a decrease of the glycerol conversion and selectivity to TAG, its removal from the reaction medium should be considered. A comparison between our results with the reported data based on different catalytic systems indicates that this model could successfully describe the chemical equilibrium of the system.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
ACETIC ACID
dc.subject
BIOMASS
dc.subject
CHEMICAL EQUILIBRIUM
dc.subject
ESTERIFICATION
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GIBBS FREE ENERGY MINIMIZATION
dc.subject
GLYCEROL
dc.subject.classification
Ingeniería de Procesos Químicos
dc.subject.classification
Ingeniería Química
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
Bio-additives from glycerol acetylation with acetic acid: Chemical equilibrium model
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-11-01T11:07:42Z
dc.journal.volume
15
dc.journal.number
100502
dc.journal.pagination
1-10
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Perez, Federico Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigación y Desarrollo en Ciencias Aplicadas "Dr. Jorge J. Ronco". Universidad Nacional de la Plata. Facultad de Ciencias Exactas. Centro de Investigación y Desarrollo en Ciencias Aplicadas; Argentina
dc.description.fil
Fil: Gatti, Martin Nicolas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigación y Desarrollo en Ciencias Aplicadas "Dr. Jorge J. Ronco". Universidad Nacional de la Plata. Facultad de Ciencias Exactas. Centro de Investigación y Desarrollo en Ciencias Aplicadas; Argentina
dc.description.fil
Fil: Nichio, Nora Nancy. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigación y Desarrollo en Ciencias Aplicadas "Dr. Jorge J. Ronco". Universidad Nacional de la Plata. Facultad de Ciencias Exactas. Centro de Investigación y Desarrollo en Ciencias Aplicadas; Argentina
dc.description.fil
Fil: Pompeo, Francisco. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigación y Desarrollo en Ciencias Aplicadas "Dr. Jorge J. Ronco". Universidad Nacional de la Plata. Facultad de Ciencias Exactas. Centro de Investigación y Desarrollo en Ciencias Aplicadas; Argentina
dc.journal.title
Results in Engineering
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.rineng.2022.100502
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S2590123022001724
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