Singapore Institute of Technology

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Suspended water nanodroplets evaporation and its deviation from continuum estimations

journal contribution
posted on 2023-09-25, 07:42 authored by Yun Mei, Elisa AngYun Mei, Elisa Ang, Pengcheng WangPengcheng Wang, William Toh, Teng Yong Ng

Although droplets evaporation is fundamental to many applications and phenomena, accurate prediction of their evaporation trajectory is still a technological gap today. This is even more so for nanodroplets when compared to the macro-sized droplets. Since it is technically challenging to observe real nanodroplets evaporation today, this contribution uses full atomistic molecular dynamics simulations to observe and quantify suspended water nanodroplets evaporation. There are two main findings to this contribution. First, it is shown in detail that continuum analysis significantly over predicts the evaporation rate of nanodroplets. This makes continuum analysis unsuitable to predict water nanodroplets’ behavior. Secondly, this contribution illustrates the use of data-driven approach that can be used for nanodroplets evaporation behavior prediction, instead of running full atomistic molecular dynamics simulations for every different condition, which can be prohibitively expensive. The paper hopes to encourage scientists working in similar field to share their MD results for nanodroplets evaporation to build a data-driven model that could be used to predict nanodroplets evaporation trajectory at a fraction of the cost of full-scale MD simulations.


MOE Tier 2 (2023 to 2026)


Journal/Conference/Book title

Journal of Molecular Liquids

Publication date