Multiple generations of model asphalt compositions that have been proposed for use in molecular simulations of asphalt dynamics and mechanics are reviewed.  The intent of these models is to provide a framework for quantifying how different molecule types contribute to the mechanical behaviors of the bulk material, i.e. asphalt 'chemomechanics'.  Simulations of past models indicate the need for properly identifying typical molecular weights, aromatic/aliphatic carbon balance, backbone branching extent, and heteroatom content.  The increased availability of new characterization tools enables new tests of compositions using molecular approaches, which helps with continuing to refine molecule choices for improved model asphalts.

Composition models for molecular simulation of asphalts

243rd National Meeting (2012)

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