Cavitation inception of water with solid nanoparticles: A molecular dynamics study

BX Li and YW Gu and M Chen, ULTRASONICS SONOCHEMISTRY, 51, 120-128 (2019).

DOI: 10.1016/j.ultsonch.2018.10.036

Cavitation in liquid with impurities is important in heterogeneous nucleation applications. One of the most widely existing kinds of impurities is solid particles, which can be found in natural water from rivers and specially prepared water such as nanofluids. Understanding the effects caused by the existence of nanoparticles on cavitation in water is vital to the rapidly developed nanotechnologies and medical researches. In this study, cavitation in water with nanoparticles is investigated through molecular dynamics simulations. The effects by nanoparticle materials and sizes on cavitation are discussed by using SiO2 and polyethylene spherical nano-particles with different diameters. The nucleation rate and the formation of critical bubbles in cavitation are studied via the Voronoi tessellation and the mean first passage time methods. The hydrogen bond network in water is also analyzed. Results reveal that SiO2 and polyethylene nanoparticles may destabilize the hydrogen bond network in water. With the same particle size, cavitation in water with polyethylene nanoparticles is promoted to a greater extent than that with SiO2 nanoparticles. With the same nanoparticle material, cavitation is promoted with the increase in particle size in a range spanning half to ten times the critical bubble radius. Beyond this range, particle size has little influence on cavitation. Reasons for those effects on cavitation due to the presence of solid nanoparticles are discussed by analysing the changes of hydrogen bonds network in water.

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