Effects of the asphaltene structure and the tetralin/heptane solvent ratio on the size and shape of asphaltene aggregates

Asphaltene molecules, which consist of differently hydrogenated polyaromatic cores grafted with side alkyl chains of different sizes and grafting densities, were simulated with a solvent mixture of heptane and tetralin using coarse-grained force fields.

A stochastic method for asphaltene structure formulation from experimental data: avoidance of implausible structures

We present a sequential-stochastic algorithm to propose asphaltene molecular representations from experimental data, avoiding the pentane effect and following Clar's sextet rule.