Molecular dynamics of deformation and fragmentation processes in liquid droplets under pulsed electric field

Abstract

The deformation and breakup of droplets are widely observed in various aspects of production and daily life. Using molecular dynamics simulations, this study primarily investigated the deformation and breakup of droplets in a nitrogen environment under pulsed electric fields of different frequencies. The results indicate that the droplet deformation undergoes periodic changes under the influence of the pulsed electric field. At equivalent electric field strengths, droplets are more likely to break under a 6.25 GHz pulsed electric field compared to a 25 GHz pulsed electric field, where droplet deformation remains stable without breaking. At every frequency, the bond energy of water molecules consistently decreases. The solvent-accessible surface area changes with the electric field at 6.25 GHz. Furthermore, the minimum value of hydrogen bond quantity reached under high-frequency pulsed fields is higher than that under low-frequency fields. The change in hydrogen bond quantity is inversely proportional to the solvent-accessible surface area. These findings provide insights into the microscopic mechanisms of droplet deformation and breakup, offering a reference for future studies.