Impact of Nanoscopic Impurity Aggregates on Cavitation in Water

Fuente: arXiv
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Auteurs principaux: Šako, Marin, Netz, Roland R., Kanduč, Matej
Format: Preprint
Publié: 2025
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author Šako, Marin
Netz, Roland R.
Kanduč, Matej
author_facet Šako, Marin
Netz, Roland R.
Kanduč, Matej
contents The stability of water against cavitation under negative pressures is a phenomenon known for considerable discrepancies between theoretical predictions and experimental observations. Using a combination of molecular dynamics simulations and classical nucleation theory, we explore how nanoscopic hydrocarbon droplets influence cavitation in water. Our findings reveal that while a macroscopic volume of absolutely pure water withstands up to -120 MPa of tension, introducing a single nanoscopic oil droplet, merely a few nanometers in radius, brings this cavitation threshold to around -30 MPa, closely matching the values typically observed in highly controlled experiments. The unavoidable presence of nanoscopic hydrophobic impurities, even in highly purified water used in experiments, imposes a practical limit on achieving the theoretical tensile strength in realistic settings. More broadly, our study highlights the profound impact of nonpolar residues on nucleation phenomena and enhances our understanding of metastability in real-world systems.
format Preprint
id arxiv_https___arxiv_org_abs_2501_19039
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Impact of Nanoscopic Impurity Aggregates on Cavitation in Water
Šako, Marin
Netz, Roland R.
Kanduč, Matej
Soft Condensed Matter
The stability of water against cavitation under negative pressures is a phenomenon known for considerable discrepancies between theoretical predictions and experimental observations. Using a combination of molecular dynamics simulations and classical nucleation theory, we explore how nanoscopic hydrocarbon droplets influence cavitation in water. Our findings reveal that while a macroscopic volume of absolutely pure water withstands up to -120 MPa of tension, introducing a single nanoscopic oil droplet, merely a few nanometers in radius, brings this cavitation threshold to around -30 MPa, closely matching the values typically observed in highly controlled experiments. The unavoidable presence of nanoscopic hydrophobic impurities, even in highly purified water used in experiments, imposes a practical limit on achieving the theoretical tensile strength in realistic settings. More broadly, our study highlights the profound impact of nonpolar residues on nucleation phenomena and enhances our understanding of metastability in real-world systems.
title Impact of Nanoscopic Impurity Aggregates on Cavitation in Water
topic Soft Condensed Matter
url https://arxiv.org/abs/2501.19039