Effective cracking of heavy crude oil by using shock-induced nanobubble collapse: A molecular dynamics study

We investigate molecular mechanisms of hydrocarbon cracking in heavy crude oil promoted by nanobubble collapse due to ultrasound-originated shock wave. Our millions-atom molecular dynamics simulations reveal rapid flow of molecules, causing nanobubble collapse and formation of energetic nanojet with a mushroom-like shape. The nanojet apex exhibits extremely high temperature before and just after the bubble collapse, which makes a favorable condition for effective cracking of paraffin molecules. The cracking rate and portion of nanobubble-containing systems are larger than those of perfect system before the bubble collapse, and larger size of nanobubble is preferable for the cracking. The cracking efficiency is improved for the paraffin molecules with longer carbon chain. •Cracking of heavy crude oil by using shock-induced nanobubble collapse was studied with molecular dynamics.•Shock-induced nanobubble promoted cracking of long paraffin molecules.•Lager-sized nanobubble was preferable to cracking.•Paraffin molecules with longer carbon chain were easily cracked.