Quantifying oxygen diffusion in bitumen films using molecular dynamics simulations

Bitumen in asphalt pavements reacts slowly with atmospheric oxygen, resulting in oxidative ageing. This oxidative reaction is strongly dependent on the physical diffusion of the oxygen into the bitumen. This study aims to use molecular dynamics (MD) simulation to investigate the oxygen diffusion into the bitumen film and analyse the effects...

Influence of anti-ageing compounds on rheological properties of bitumen

The aim of this study was to investigate the effects of different anti-ageing compounds (AACs) on the oxidative stability, rheological and mechanical properties of bitumen. Modified bitumen samples containing six different AAC combinations, with five samples containing Irganox acid (3,5-di-tert-butyl-4-hydoxyphenylpropionic acid), a hindered...

Multi-scale characterization of lignin modified bitumen using experimental and molecular dynamics simulation methods

Lignin, as a major waste from biofuel and paper industries, could be utilized as a modifier to enhance the relevant performance of bitumen. However, the effects of lignin on the thermodynamics properties and molecular structure of bitumen are rarely studied. Meanwhile, the potential modification mechanism of lignin modified bitumen is still...

Nanostructure and damage characterisation of bitumen under a low cycle strain-controlled fatigue load based on molecular simulations and rheological measurements

Bitumen fatigue resistance is critical to determine the overall fatigue performance and service life of asphalt pavements. However, the mechanisms responsible for fatigue damage of bitumen have previously not been well understood. Molecular dynamics (MD) simulation has recently emerged as a powerful computer-aided numerical technique to model...