The invention relates to a construction method of a
pitch and modifying agent compatibility
system model, and belongs to the technical field of modified
pitch. The main problems are solved that in theprior art, a
pitch molecule model in an existing pitch and modifying agent compatibility
system model used for
molecular dynamics simulation is simple, on the whole, one typical molecule is utilizedfor representing all pitch components, a large difference is formed between the pitch molecule model and the real pitch structure, and the model accuracy is low. According to the method, an SBS segmented
copolymer molecular structure model and a single pitch
system crystal cell model are constructed mainly by utilizing
molecular dynamics simulation software, the number of molecule models in the SBS segmented
copolymer molecular structure model and the single pitch system
crystal cell model are determined and combined in the
software, and the SBS modified pitch blend
system model is obtained. Amodified pitch four-component model in the blend
system model is composed of larger molecules, so that
simulation values of the density and the like are closer to numerical values of real pitch; therefore, when applied to
molecular dynamics simulation, the pitch and modifying agent compatibility
system model has good representation and prediction performance, and the research for the pitch and SBS modifying agent compatibility mechanism is also facilitated.