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OPERANDO FTIR-ATR WITH MOLECULAR DYNAMIC SIMULATIONS TO UNDERSTAND THE DIFFUSION MECHANISM OF WASTE TIRE-DERIVED PYROLYTIC OIL FOR ASPHALT SELF-HEALING

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dc.creatorLUIS ERNESTO ARTEAGA PÉREZ
dc.creatorGONZALO RENATO ANDRÉS QUEZADA ESCALONA
dc.creatorJOSÉ ERNESTO NORAMBUENA CONTRERAS
dc.creatorJORGE HERNÁN SAAVEDRA MOLINA
dc.date2023
dc.date.accessioned2025-01-10T15:41:06Z
dc.date.available2025-01-10T15:41:06Z
dc.date.issued2023
dc.description.abstractRECENT RESEARCH PROVES THAT PYROLYTIC OILS FROM WASTE TIRES ARE EFFECTIVE IN RESTORING THE CHEMICAL AND RHEOLOGICAL PROPERTIES OF AGED ASPHALT BINDERS. NONETHELESS, THE ROLE OF OIL-BINDER MOLECULAR INTERACTIONS AND BINDE?S AGING DEGREE ON THE DIFFUSIONAL BEHAVIOR OF THE PYRO-OILS IS STILL UNCLEAR. IN THIS STUDY, AUTHORS PROPOSE INTEGRATING OPERANDO FOURIER TRANSFORMED INFRARED SPECTROSCOPY (FTIR) MEASUREMENTS WITH MOLECULAR DYNAMICS (MD) SIMULATIONS AS A NOVEL APPROACH TO UNRAVEL THE DIFFUSION MECHANISMS OF PYRO-OILS IN ASPHALT BINDERS WITH SELF-HEALING PURPOSES. THE PRODUCED PYRO-OILS CONTAINS ALIPHATIC AND SINGLE-RING ALKYL AROMATIC COMPOUNDS AS THE MOST ABUNDANT SPECIES (CA. 80%). THE OPERANDO FTIR MEASUREMENTS WERE CORRELATED BY A FICKIAN MODEL, RESULTING IN DIFFUSION COEFFICIENTS (D0) BETWEEN 10-12 AND 10-11 M2S?1. MOREOVER, MD SIMULATIONS, WITH A MOLECULAR MODEL OF AGED ASPHALT CONTAINING BENZYLIC RINGS, SULFOXIDES, AND HYDROXYL FUNCTIONAL GROUPS, DEMONSTRATED THAT INTERACTIONS OF FUNCTIONAL GROUPS IN THE PYRO-OIL WITH THE BINDER, HINDER THE DIFFUSION BEHAVIOR OF THE PYRO-OIL. THE D0 ESTIMATED FROM THE MD SIMULATIONS AGREED WITH THOSE CALCULATED FROM EXPERIMENTAL DATA AND PREVIOUS REPORTS FOR PETRO- AND BIO-DERIVED REJUVENATORS. THE PREDICTIVE PERFORMANCE OF THE MD SIMULATIONS DEVELOPED IN THIS STUDY CONFIRMS TO DESIGN OF MORE RESILIENT SELF-HEALING ASPHALT BINDERS USING A BOTTOM-UP STRATEGY.
dc.formatapplication/pdf
dc.identifier.doihttps://doi.org/10.1016/j.fuel.2023.129834
dc.identifier.issn1873-7153
dc.identifier.issn0016-2361
dc.identifier.urihttps://repositorio.ubiobio.cl/handle/123456789/13177
dc.languagespa
dc.publisherFUEL
dc.relation.urihttps://doi.org/10.1016/j.fuel.2023.129834
dc.rightsPUBLICADA
dc.subjectPyrolytic oil
dc.subjectDynamics Self-healing
dc.subjectDiffusion Molecular
dc.subjectAsphalt Rejuvenator
dc.titleOPERANDO FTIR-ATR WITH MOLECULAR DYNAMIC SIMULATIONS TO UNDERSTAND THE DIFFUSION MECHANISM OF WASTE TIRE-DERIVED PYROLYTIC OIL FOR ASPHALT SELF-HEALING
dc.typeARTÍCULO
dspace.entity.typePublication
oaire.fundingReferenceANID- AGENCIA NACIONAL DE INVESTIGACIÓN Y DESARROLLO (EX CONICYT)
oaire.fundingReferenceENERGIA CIRCULAR SPA
oaire.fundingReferenceANID- AGENCIA NACIONAL DE INVESTIGACIÓN Y DESARROLLO (EX CONICYT)
oaire.fundingReferenceDIRECCION NACIONAL DE OBRAS PORTUARIAS- MINISTERIO DE OBRAS PÚBLICAS
oaire.fundingReferenceOIL MALAL S.A.
oaire.fundingReferenceCONSTRUCTORA ASFALCURA SPA
oaire.fundingReferenceUNIVERSIDAD TÉCNICA FEDERICO SANTA MARÍA
oaire.fundingReferenceUDEC- UNIVERSIDAD DE CONCEPCIÓN
oaire.fundingReferenceUBB- UNIVERSIDAD DEL BÍO-BÍO
oaire.fundingReferenceOIL MALAL S.A.
oaire.fundingReferenceCLASA S.A.
oaire.fundingReferenceESPECIALIDADES ASFALTICAS BITUMIX CVV LTDA
ubb.EstadoPUBLICADA
ubb.Otra ReparticionDEPARTAMENTO DE INGENIERIA EN MADERAS
ubb.Otra ReparticionDEPARTAMENTO DE INGENIERIA EN MADERAS
ubb.Otra ReparticionDEPARTAMENTO DE INGENIERIA CIVIL Y AMBIENTAL
ubb.Otra ReparticionESCUELA DE INGENIERIA CIVIL QUIMICA
ubb.SedeCONCEPCIÓN
ubb.SedeCONCEPCIÓN
ubb.SedeCONCEPCIÓN
ubb.SedeCONCEPCIÓN
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