Thermodynamic and physical property estimation of compounds derived from the fast pyrolysis of lignocellulosic materials

Simple item page
dc.contributor.authorFonts, Isabel
dc.contributor.authorAtienza Martínez, María
dc.contributor.authorCarstensen, Hans Heinrich
dc.contributor.authorBenés, Mario
dc.contributor.authorPinheiro Pires, Anamaria Paiva
dc.contributor.authorGarcía Pérez, Manuel
dc.contributor.authorBilbao, Rafael
dc.contributor.departmentCienciases_ES
dc.contributor.departmentZientziakeu
dc.date.accessioned2022-01-17T12:47:55Z
dc.date.available2022-01-17T12:47:55Z
dc.date.issued2021
dc.description.abstractThe development of biomass pyrolysis oil refineries is a very promising path for the production of biofuels and bioproducts from lignocellulosic materials. Given that bio-oil is a complex mixture of organic compounds, the production of valuable bioproducts may imply the use of different separation processes, such as distillation, selective condensation, crystallization based on melting points, liquid-liquid extraction or adsorption, and/or upgrading treatments, such as catalytic cracking or hydrodeoxygenation. In this context, the main objectives of this work are (1) to propose a simple but representative composition of the bio-oil, which can be used as a bio-oil surrogate, and (2) to determine selected thermodynamic, physical, and molecular properties of the organic compounds included in the bio-oil surrogate using different estimation methods and calculation procedures. These properties are critical temperature, critical pressure, critical volume, normal boiling point, enthalpy of vaporization, vapor pressure curves, normal melting point, enthalpy of fusion, heat capacities of gas, liquid, and solid, gas and liquid standard enthalpy of formation, gas standard Gibbs free energy of formation, Hansen solubility parameters, molecular volume, and molecular diameter. This group of properties has been selected for their possible application in the simulation or design of thermochemical, separation, and upgrading processes. Additionally, the suitability of the estimated thermodynamic properties and the proposed surrogate composition has been assessed by comparing experimental and literature data with the apparent enthalpy of formation of the bio-oil predicted from the weight-averaged contributions of the compounds as well as the heat required for the pyrolysis process at 500 °C.en
dc.description.sponsorshipThe authors acknowledge the funding from the Aragón government (reference T22_20R), co-funded by FEDER 2014–2020 'Construyendo Europa desde Aragón'. The authors acknowledge MICINN (RTI2018-098856-B-100) and Centro Universitario de la Defensa (CUD, UZCUD2020-TEC-01) for financial support. Hans-Heinrich Carstensen thanks Aragon Institute of Engineering Research (I3A) for the use of its high performance computing (HPC) cluster HERMES.en
dc.format.extent24 p.
dc.format.mimetypeapplication/pdfen
dc.identifier.doi10.1021/acs.energyfuels.1c01709
dc.identifier.issn0887-0624
dc.identifier.urihttps://academica-e.unavarra.es/handle/2454/41792
dc.language.isoengen
dc.publisherAmerican Chemical Society
dc.relation.ispartofEnergy and Fuels, 35 (2021)
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098856-B-I00/ES/
dc.relation.publisherversionhttp://doi.org/10.1021/acs.energyfuels.1c01709
dc.rights© 2021 American Chemical Society. Creative Commons Attribution 4.0 Internationalen
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectPyrolysisen
dc.subjectLignocellulosic Materialsen
dc.subjectBiofuelsen
dc.titleThermodynamic and physical property estimation of compounds derived from the fast pyrolysis of lignocellulosic materialsen
dc.typeinfo:eu-repo/semantics/article
dc.type.versioninfo:eu-repo/semantics/publishedVersion
dspace.entity.typePublication
relation.isAuthorOfPublication7b063093-24f6-487f-bcbc-1b9634999601
relation.isAuthorOfPublication.latestForDiscovery7b063093-24f6-487f-bcbc-1b9634999601

Files

Original bundle
Now showing 1 - 2 of 2
Thumbnail Image
Name:
Fonts_ThermodynamicPhysical.pdf
Size:
2.2 MB
Format:
Adobe Portable Document Format
Download
Thumbnail Image
Name:
Fonts_ThermodynamicFhysical_MatCompl.pdf
Size:
1.62 MB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed to upon submission
Description:
Download

Collections

Artículos de revista DCIE - ZIES Aldizkari artikuluak
Artículos de revista - Aldizkari artikuluak