Modification Mechanism of MWCNTs and SBS Composite-Modified Asphalt Binder: Laboratory Investigation and Molecular Dynamic Simulation

Abstract

Carbon nanotube (CNT) is a material with high modulus, high tensile strength, good flexibility and large specific surface area. This material has become very popular and has been also applied as an asphalt modifier. In the current research, multi-walled carbon nanotubes (MWCNTs) and styrene-butadiene-styrene (SBS) were employed as modifiers to fabricate MWCNTs/SBS composite-modified asphalt binder (hereinafter referred to as MCSA). The technical performance of MCSA was evaluated by performance tests and the optimal content of MWCNTs was determined. MCSA dispersion characteristics and interactions of components were investigated by microscopic test methods. Interactions of molecules and tensile behavior of MWCNTs in MCSA were explored by molecular dynamics (MD) simulation. The modification mechanism of MWCNTs was studied at the macro, micro and molecular levels. The following conclusions were drawn: According to macroscopic test results, the optimal content range of MWCNTs was 0.4% to 0.6%. MWCNTs modification process on asphalt binder was a physical modification. MWCNTs enhanced interactions among components and this effect was most obvious when MWCNTs content was 0.6%. The results of the macroscopic test were verified by the microscopic test. MWCNTs molecules could couple with SBS modifier as well as asphalt component molecules, thereby enhancing the interaction of each component in the system. MWCNTs mainly enhanced molecular interactions by increasing van der Waals energy in MCSA system, to make it more stable. MWCNTs do not break during the pull-out process. The molecules of asphalt component, SBS modifier and MWCNTs penetrated each other, which enhanced system stability to resist external loads and improved the mechanical properties of MCSA.