Evaluation of Compatibilizers for Improving Compatibility between Waste Vegetable Oil and Aged Asphalt

Abstract

Modifying agents 2,2-Bis(4-glycidyloxyphenyl) propane (2BPE) and dibutyl phthalate (DBP) were selected to enhance the compatibility. By using molecular simulation software (Materials Studio, MS), nine systems were constructed, including molecular models of aged asphalt and WVO monomers with 2BPE and/or DBP. The solubility parameters, Flory-Huggins parameters, and interaction energies of these systems were calculated to determine the impact of 2BPE and DBP on the compatibility of WVO and aged asphalt. Results showed that the addition of 2BPE and DBP reduced the difference in the solubility parameters between WVO and aged asphalt, thus improving the compatibility between WVO and aged asphalt. Additionally, using a combination of 2BPE and DBP in both aged asphalt and rejuvenator was found to be more effective than using either 2BPE or DBP alone. Finally, it was determined that evaluating the compatibility of WVO and aged asphalt using Van der Waals potential and non-bonding energy as evaluation indicators was more accurate than using electrostatic potential energy.

Keywords

road engineering / aged asphalt / compatibility / molecular dynamics / solubility parameter / Flory-Huggins parameter

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