An overview of HSP and COSMO-RS for computational green solvent screening: Applications in biomass valorization

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dc.article.number118272
dc.catalogadoraba
dc.contributor.authorSánchez Bragagnolo, Felipe
dc.contributor.authorOrmazabal Latorre, Sebastián
dc.contributor.authorCanales Muñoz, Roberto
dc.contributor.authorRostagno, Mauricio Ariel
dc.contributor.authorEsteban, Jesús
dc.contributor.authorGonzález Miquel, María
dc.date.accessioned2025-06-04T16:25:24Z
dc.date.available2025-06-04T16:25:24Z
dc.date.issued2025
dc.description.abstractValorizing biomass by-products and reducing their accumulation are critical current issues. Nevertheless, the large volume of such materials requires continuous and enhanced strategies to mitigate potential environmental problems. The valorization of biomass through the recovery of valuable compounds must be sustainable and optimized, emphasizing the selection of optimal and greener solvents for this purpose. In this context, to reduce experimental efforts, material resources, and energy expenses, predictive in silico tools enable efficient preliminary screening, highlighting the tools based on Hansen Solubility Parameters (HSP) and COnductor-like Screening MOdel for Real Solvents (COSMO-RS). Considering their widespread application, this review critically analyzes both computational methods, highlighting their main concepts, applications, and limitations. Finally, we propose a simplified guide from solvent selection to the purified (or not) fraction.
dc.fuente.origenSCOPUS
dc.identifier.doi10.1016/j.trac.2025.118272
dc.identifier.eissn0165-9936
dc.identifier.issn0165-9936
dc.identifier.scopusidSCOPUS_ID:105003410540
dc.identifier.urihttps://doi.org/10.1016/j.trac.2025.118272
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/104580
dc.identifier.wosidWOS:001482137100001
dc.information.autorucEscuela de Ingeniería; Canales Muñoz, Roberto; 0000-0002-2535-6527; 1039369
dc.language.isoen
dc.nota.accesocontenido parcial
dc.revistaTrAC - Trends in Analytical Chemistry
dc.rightsacceso restringido
dc.subjectAlternative solvents
dc.subjectBio-based solvents
dc.subjectBiorefinery
dc.subjectCircular economy
dc.subjectComputational predictions
dc.subjectGreen chemistry
dc.subject.ddc620
dc.subject.deweyIngenieríaes_ES
dc.titleAn overview of HSP and COSMO-RS for computational green solvent screening: Applications in biomass valorization
dc.typeartículo
dc.volumen189
sipa.codpersvinculados1039369
sipa.trazabilidadSCOPUS;2025-05-18
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