Asphalt and SBS compatibility evaluation method based on molecular dynamics simulation
A technology of molecular dynamics and evaluation method, which is applied in the field of compatibility of modified asphalt, can solve the problems of no theoretical guidance, large influence of human factors, and poor accuracy of the asphalt compatibility evaluation system
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[0014] The invention provides a method for evaluating the compatibility of asphalt and SBS based on molecular dynamics simulation, and the specific implementation steps are as follows:
[0015] (1) According to the "Petroleum Asphalt Four-Component Determination Method (NB / SH / T 0509-2010)" to test the content of saturates, aromatics, colloids and asphaltenes in the four components of base asphalt;
[0016] (2) Use the Sketch function of the Materials Studio software to draw the typical representative molecular structure models of the four components of the base asphalt and perform geometric optimization. Determine the number of each molecular structure model according to the content of the four components of the base asphalt, and use the Amorphous Cell module to construct the initial single asphalt System unit cell model a, optimize the geometric structure in the Forcite module, and simulate the density, viscosity, and cohesive energy density of a single asphalt system unit cel...
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