Dissipative particle dynamics parameterization and simulations to predict negative volume excess and structure of PEG and water mixtures

Basit Öğe Kaydı
dc.authoridKacar, Gokhan/0000-0003-0359-3211
dc.authorwosidKAÇAR, Gökhan/Q-5128-2019
dc.contributor.authorKacar, Gokhan
dc.date.accessioned2024-06-12T11:19:37Z
dc.date.available2024-06-12T11:19:37Z
dc.date.issued2017
dc.departmentTrakya Üniversitesien_US
dc.description.abstractWe report the results of dissipative particle dynamics (DPD) parameterization and simulations of a mixture of hydrophilic polymer, PEG 400, and water which are known to exhibit negative volume excess property upon mixing. The addition of a Morse potential to the conventional DPD potential mimics the hydrogen bond attraction, where the parameterization takes the internal chemistry of the beads into account. The results indicate that the mixing of PEG and water are maintained by the influence of hydrogen bonds, and the mesoscopic structure is characterized by the trade-off of enthalpic and entropic effects. (C) 2017 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipTUBITAK [116C003]en_US
dc.description.sponsorshipThis work was partially supported by TUBITAK 2232 program [Grant No. 116C003].en_US
dc.identifier.doi10.1016/j.cplett.2017.10.052
dc.identifier.endpage139en_US
dc.identifier.issn0009-2614
dc.identifier.issn1873-4448
dc.identifier.scopus2-s2.0-85032377315en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage133en_US
dc.identifier.urihttps://doi.org/10.1016/j.cplett.2017.10.052
dc.identifier.urihttps://hdl.handle.net/20.500.14551/25278
dc.identifier.volume690en_US
dc.identifier.wosWOS:000416710500020en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPoly(Ethylene Glycol)en_US
dc.subjectPolyamidoamine Dendrimersen_US
dc.subjectMesoscopic Simulationen_US
dc.subjectHydrogelsen_US
dc.subjectPolymeren_US
dc.subjectPharmacokineticsen_US
dc.subjectPotentialsen_US
dc.subjectLiposomesen_US
dc.subjectDeliveryen_US
dc.subjectPegylationen_US
dc.titleDissipative particle dynamics parameterization and simulations to predict negative volume excess and structure of PEG and water mixturesen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu