Bitumen Design Based on Molecular Scale Calculation

To more fundamentally understand the materials design of bitumen we used the molecular scale calculation to predict properties and prepare asphalt materials. This review provides a conclusion on the material design asphaltene models bitumen models and the applications of molecular simulation. The objectives of the investigation were the following: asphaltene models and bitumen models; thermo-mechanical properties calculation of bitumen; interfacial behavior; self-healing properties calculation of bitumen and aging and antiaging mechanisms of graphene modified bitumen.