Integrating experimental and atomistic insights into the rejuvenation of aged binder using bio-based rejuvenators

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dc.contributor.authorKurban, Mustafa
dc.contributor.authorFurtana-Yalcin, Beyza
dc.contributor.authorYílmaz, Mehmet
dc.contributor.authorAkpinar, Sinan
dc.contributor.authorKök, Baha Vural
dc.contributor.authorHekim, Seda Surucu
dc.contributor.authorOzdemir, Ahmet Munir
dc.date.accessioned2026-02-08T15:11:10Z
dc.date.available2026-02-08T15:11:10Z
dc.date.issued2026
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractThis study integrates experimental and computational methods to evaluate the rejuvenation performance of an aged asphalt binder using two novel bio-based additives, 1T and 2T. The aged binder, sourced from reclaimed asphalt pavement (RAP), was modified with 25 wt% of each rejuvenator (denoted as 1T25 and 2T25, respectively). SARA (Saturates, Aromatics, Resins, Asphaltenes) fractionation and colloidal indices were used to assess compositional recovery. Both additives increased aromatic and resin contents while reducing asphaltenes. The 2T-modified binder achieved the highest colloidal stability (I<inf>c</inf> = 0.29) and the most pronounced improvement in stability indicators (CI and I<inf>c</inf>) among the tested systems. Complementary molecular dynamics (MD) simulations using the COMPASSII force field modeled the structural and thermodynamic behavior of RAP and rejuvenated systems. The 2T25 system exhibited higher density and more compact molecular packing, suggesting stronger cohesive organization and reduced free volume, whereas 1T25 showed greater molecular spacing and flexibility. RDF analysis and converged thermodynamic/structural trajectories (energy, temperature, cell length, and density stabilization) further supported rejuvenator-dependent rearrangement of packing during equilibration. Overall, MD acts as a mechanistic bridge that interprets experimental SARA/CI/I<inf>c</inf> trends and supports design-oriented development of sustainable rejuvenators. © 2026 The Author(s).
dc.description.sponsorshipFirat Üniversitesi, FU; Türkiye Bilimsel ve Teknolojik Araştırma Kurumu, TUBITAK, (223M360); Türkiye Bilimsel ve Teknolojik Araştırma Kurumu, TUBITAK; Firat University Scientific Research Projects Management Unit, FUBAP, (FF.25.38); Firat University Scientific Research Projects Management Unit, FUBAP
dc.identifier.doi10.1016/j.matdes.2026.115543
dc.identifier.isbn9781856174978
dc.identifier.issn0264-1275
dc.identifier.scopus2-s2.0-105028369566
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.matdes.2026.115543
dc.identifier.urihttps://hdl.handle.net/20.500.12885/5274
dc.identifier.volume262
dc.identifier.wosWOS:001678905500001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherElsevier Ltd
dc.relation.ispartofMaterials and Design
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzScopus_KA_20260207
dc.subjectAged asphalt binder
dc.subjectBio-based rejuvenator
dc.subjectColloidal stability
dc.subjectMolecular dynamics (MD)
dc.subjectReclaimed asphalt pavement (RAP)
dc.subjectSARA fractionation
dc.titleIntegrating experimental and atomistic insights into the rejuvenation of aged binder using bio-based rejuvenators
dc.typeArticle

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