For
ensuring the safe and stable operation of waxy crude oil pipeline
transportation, in this research, the molecular dynamics model was
established to characterize the deposition and wall sticking behavior
of waxy crude oil multiphase system pipeline transportation. The equal
density interpolation fitting method was proposed to determine the
wall contact angle of simulation results. Through verification, the
error between the simulation results and the experimental results
measured by Dos Santos et al. (2006) was less than 5%, which showed
that the established model was accurate and reliable. Using the established
model, the deposition and wall sticking behavior of waxy crude oil
nucleated clusters was simulated. It was found that the nucleated
clusters would first adhere to the wall surface to form the solidified
oil layer. Then, the wax and asphaltene molecules would diffuse to
the deposit layer, and the oil molecules in the solidified oil layer
reverse diffused to the direction of the oil flow. With the adhering
and spreading degree of clusters on the wall surface increasing, the
deposit layer gradually aged, and the gelled deposit layer with a
higher density and hardness would form. On this basis, the micro influence
mechanism of the surface free energy was studied. It was found that
the higher the surface free energy, the more hydrophilic the pipeline
wall was, and the higher the adhesion degree would be. Moreover, based
on the ABF sampling and the potential of mean force calculations,
the selective deposition process of waxy crude oil deposited on the
sedimentary layer was studied. The micro information on the deposition
sites, the binding conformation, and the binding energy of different
molecules in clusters deposited on different molecules in sedimentary
layer were analyzed. The investigations in this study could provide
theoretical support for paraffin removal and control, which could
ensure the safe and stable operation of the waxy crude oil production
system.