Asphalt and SBS compatibility evaluation method based on molecular dynamics simulation

Abstract

The invention relates to an asphalt and SBS compatibility evaluation method based on molecular dynamics simulation, belongs to the technical field of modified asphalt compatibility, and mainly solvesthe problem that no specific and accurate method for evaluating the compatibility of SBS and asphalt exists at present. A molecular dynamics simulation method is used as a basis. The method comprises:using molecular dynamics simulation software, respectively constructing a single asphalt system unit cell model, an SBS block copolymer molecular structure model and an SBS modified asphalt blendingsystem model, respectively carrying out molecular dynamics simulation on the models, calculating to obtain solubility parameters and interaction energy, and characterizing and evaluating the compatibility of SBS and asphalt by taking the solubility parameters and interaction energy as indexes. The compatibility evaluation method disclosed by the invention provides an idea for researching the compatibility mechanism of the SBS and the asphalt. The method provides guidance for the establishment of a modified asphalt compatibility evaluation system and an evaluation system thereof, provides a theoretical basis for the formula of the SBS modifier, and has very important significance for solving the problem of asphalt segregation and improving the stability of the modified asphalt.

Description

technical field [0001] The invention relates to a molecular dynamics simulation-based compatibility evaluation method between asphalt and SBS, and belongs to the technical field of compatibility of modified asphalt. Background technique [0002] In the past thirty years, my country's highway traffic has been in a state of rapid development. With the continuous increase of the construction mileage of high-grade highways, the construction scale of asphalt pavement of all levels of highways is gradually expanding, and more than 90% of the expressways are paved with asphalt pavement. Modern highways have a large traffic volume, uniaxial axle loads, overloaded and heavy-duty vehicles increase, and traffic tends to be channelized, so ordinary matrix asphalt cannot meet the requirements of high-grade highways. In order to improve the service level and service life of the pavement, polymer-modified asphalt is mostly used as a binder in newly-built expressways in recent years. Amon...

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Problems solved by technology

[0009] The invention provides a method for evaluating the compatibility of asphalt and SBS based on molecular dynamics simulation. The method uses the Materials Studio software and proposes solubility parameters and interaction energy to dynamically analyze the compatibility of SBS and matrix asphalt from a microscopic perspective. , the evaluation is simple, easy to operate, and the result is intuitive and reliable, thus solving the problem that the existing asphalt compatibility evaluation system has no theoretical guidance, and the current macroscopic experiment evaluation of compatibility has poor accuracy and large influence of human factors; The micro-level evaluation method ignores the dynamic change of molecular structure when SBS is compatible with asphalt

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