Asphalt materials are uneven and complex organic matter, and the properties of asphalt–
aggregate interfaces are also complex. This makes it difficult for researchers to understand …

Molecular simulation method has been widely applied to various fields with the rapid
development of computational techniques. Molecular dynamics (MD) simulation applications …

We report classical atomistic molecular dynamics simulations of four structurally diverse
model asphaltenes, a model resin, and their respective mixtures in toluene or heptane under …

Molecular dynamics (MD) simulations were used to study the aggregation of model
molecules representing some structural features of asphaltenes in different solvents …

Heavy and extra heavy crude oils usually have a high weight percentage of asphaltene,
which could induce many problems during production to refining processes. Also …

The findings reported here is to understand the nature of asphaltenes aggregation behavior
at the molecular level in crude oil. Previous studies have been rich with the statistical and …

Molecular dynamics (MD) simulations were used to study the nanoaggregation of model
asphaltene molecules in binary mixtures of toluene and water. Four types of model …

The formation of organic sediments, especially asphaltene in reservoirs, wells and
equipment, has a harmful effect on the oil production economy, which reduces oil production …

During the last few decades, industrial waste has increased at an alarming rate, and the
recycling of waste materials has always been an urgent problem to be solved. While the …

To decrease the usage of energy and improve waste recovery, dynamic simulations are
conducted to understand the diffusion mechanism and rheological properties of bio-oil …