Suspended water nanodroplets evaporation and its deviation from continuum estimations
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 rea...
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sg-ntu-dr.10356-1722122023-11-29T05:53:29Z Suspended water nanodroplets evaporation and its deviation from continuum estimations Ang, Elisa Y. M. Wang, Peng Cheng Toh, William Ng, Teng Yong School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Molecular Dynamics Water Nanodroplets 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. 2023-11-29T05:53:29Z 2023-11-29T05:53:29Z 2023 Journal Article Ang, E. Y. M., Wang, P. C., Toh, W. & Ng, T. Y. (2023). Suspended water nanodroplets evaporation and its deviation from continuum estimations. Journal of Molecular Liquids, 370, 121034-. https://dx.doi.org/10.1016/j.molliq.2022.121034 0167-7322 https://hdl.handle.net/10356/172212 10.1016/j.molliq.2022.121034 2-s2.0-85144431682 370 121034 en Journal of Molecular Liquids © 2022 Elsevier B.V. All rights reserved. |
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Engineering::Mechanical engineering Molecular Dynamics Water Nanodroplets Ang, Elisa Y. M. Wang, Peng Cheng Toh, William Ng, Teng Yong Suspended water nanodroplets evaporation and its deviation from continuum estimations |
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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. |
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School of Mechanical and Aerospace Engineering |
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School of Mechanical and Aerospace Engineering Ang, Elisa Y. M. Wang, Peng Cheng Toh, William Ng, Teng Yong |
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Article |
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Ang, Elisa Y. M. Wang, Peng Cheng Toh, William Ng, Teng Yong |
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Ang, Elisa Y. M. |
title |
Suspended water nanodroplets evaporation and its deviation from continuum estimations |
title_short |
Suspended water nanodroplets evaporation and its deviation from continuum estimations |
title_full |
Suspended water nanodroplets evaporation and its deviation from continuum estimations |
title_fullStr |
Suspended water nanodroplets evaporation and its deviation from continuum estimations |
title_full_unstemmed |
Suspended water nanodroplets evaporation and its deviation from continuum estimations |
title_sort |
suspended water nanodroplets evaporation and its deviation from continuum estimations |
publishDate |
2023 |
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https://hdl.handle.net/10356/172212 |
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1783955629235240960 |