Polyethylene glycol(PEG)with different chains was used to modify epoxy asphalt.Molecular models of PEG⁃modified epoxy asphalt were developed using molecu⁃lar simulations(MS).The thermodynamic and mechanical properties...Polyethylene glycol(PEG)with different chains was used to modify epoxy asphalt.Molecular models of PEG⁃modified epoxy asphalt were developed using molecu⁃lar simulations(MS).The thermodynamic and mechanical properties of PEG⁃modified epoxy asphalt were analyzed,and its toughening mechanisms were explored.A method based on the Dijkstra algorithm was proposed to evaluate ep⁃oxy asphalt crosslinked networks.The results show that the introduction of PEG chains into epoxy asphalt can lower the glass transition temperature and enhance its toughness be⁃cause of the extended length of the PEG chains,which can in⁃crease the free volume and improve the mobility of the epoxy resin in the epoxy asphalt.The crosslinked network quantita⁃tive evaluation method based on the Dijkstra algorithm can ef⁃fectively evaluate the distribution of epoxy asphalt crosslink⁃ing bonds,providing further explanation of the toughening mechanism of PEG⁃modified epoxy asphalt.The feasibility of designing and screening epoxy asphalt materials by MS is verified,and a guide for toughening mechanism research of epoxy asphalt at the molecular level is provided.展开更多
基金The Major Science and Technology Project of Nan⁃jing(No.202209012)the Postgraduate Research and Practice Innova⁃tion Program of Jiangsu Province(No.KYCX22⁃0277).
文摘Polyethylene glycol(PEG)with different chains was used to modify epoxy asphalt.Molecular models of PEG⁃modified epoxy asphalt were developed using molecu⁃lar simulations(MS).The thermodynamic and mechanical properties of PEG⁃modified epoxy asphalt were analyzed,and its toughening mechanisms were explored.A method based on the Dijkstra algorithm was proposed to evaluate ep⁃oxy asphalt crosslinked networks.The results show that the introduction of PEG chains into epoxy asphalt can lower the glass transition temperature and enhance its toughness be⁃cause of the extended length of the PEG chains,which can in⁃crease the free volume and improve the mobility of the epoxy resin in the epoxy asphalt.The crosslinked network quantita⁃tive evaluation method based on the Dijkstra algorithm can ef⁃fectively evaluate the distribution of epoxy asphalt crosslink⁃ing bonds,providing further explanation of the toughening mechanism of PEG⁃modified epoxy asphalt.The feasibility of designing and screening epoxy asphalt materials by MS is verified,and a guide for toughening mechanism research of epoxy asphalt at the molecular level is provided.
