Session: I&EC General Posters:

The purpose of this study was to evaluate the thermal (glass transition temperature), transport (selfdiffusion),
and rheological (viscosity, storage and loss modulus) properties of asphalt via laboratory
experiments and molecular dynamics simulations. A 12-component asphalt model was employed in
the molecular dynamics simulations with the modified Amber-Cornell force field. The asphalt model with
the specific force field was validated against experimental and literature density data at various temperatures.
The transition from the glassy state to the viscoelastic regime was explored by calculating the
glass transition temperature. The results were compared with results from the differential scanning
calorimeter (DSC) experiments. The self-diffusivity was calculated at a broad temperature range. The viscosity
at the viscoelastic liquid regime was measured in the laboratory and calculated with reverse nonequilibrium
molecular dynamic (rNEMD) simulations at various temperatures. Laboratory dynamic shear
rheological testing was conducted for a wide frequency range at 70 �C. Oscillatory shear was applied in
the asphalt model for calculating the storage and loss moduli within the experimental frequency range.

Dr. Ashok Khanal

Assistant Professor, University of the Incarnate Word

Appearances