Molecular Dynamics Simulation on the Process of Ultrasonic Viscosity Reduction

JC Shi and L Tong and L Sun and T Jiang and XF Yu and KJ Yu and SB Lu and WW Xu, PROCESSES, 12, 2803 (2024).

DOI: 10.3390/pr12122803

In this work, through experiments and molecular dynamics simulations, it was found that the viscosity of heavy oil decreased significantly after ultrasonic treatment, and the viscosity reduction rate can be up to 60%. The simulation results show that under the action of ultrasound, the macromolecules in the heavy oil were broken into small molecular hydrocarbons accounting for 89.2% with fewer carbon numbers (<6) and simple structures, as well as small molecules containing heteroatoms. The fracture rate of different bonds in the macromolecule under the action of ultrasound was in the range of 25% to 43%. The simulation results provide a theoretical basis for the industrial application of ultrasonic viscosity reduction.

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