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Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper

In experiments, printing paper is imprinted with three different ink micropatterns (square, grid, and stripe). The wetting contact angle of water droplets on a heterogeneous surface is then investigated using a proportionate scaling molecular dynamics (MD) simulation, where the water droplets and th...

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Detalles Bibliográficos
Autores principales: Wang, Xiao, Chen, Lijun, Zhang, Chunlai, Zhang, Xiping, Wu, Yintao, Wang, Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10630934/
https://www.ncbi.nlm.nih.gov/pubmed/38025861
http://dx.doi.org/10.1039/d3ra05921a
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author Wang, Xiao
Chen, Lijun
Zhang, Chunlai
Zhang, Xiping
Wu, Yintao
Wang, Bo
author_facet Wang, Xiao
Chen, Lijun
Zhang, Chunlai
Zhang, Xiping
Wu, Yintao
Wang, Bo
author_sort Wang, Xiao
collection PubMed
description In experiments, printing paper is imprinted with three different ink micropatterns (square, grid, and stripe). The wetting contact angle of water droplets on a heterogeneous surface is then investigated using a proportionate scaling molecular dynamics (MD) simulation, where the water droplets and the ink-patterned printing paper are both shrunk by a factor of 200 000 collectively. The errors from the theoretical values are always less than 1°, which is much less than the bias of experimental measurement data, according to the modeling contact angles. It has been demonstrated that this proportionate scaling approach works well to appropriately explain the interaction between micro-/nanostructures and liquids.
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spelling pubmed-106309342023-11-08 Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper Wang, Xiao Chen, Lijun Zhang, Chunlai Zhang, Xiping Wu, Yintao Wang, Bo RSC Adv Chemistry In experiments, printing paper is imprinted with three different ink micropatterns (square, grid, and stripe). The wetting contact angle of water droplets on a heterogeneous surface is then investigated using a proportionate scaling molecular dynamics (MD) simulation, where the water droplets and the ink-patterned printing paper are both shrunk by a factor of 200 000 collectively. The errors from the theoretical values are always less than 1°, which is much less than the bias of experimental measurement data, according to the modeling contact angles. It has been demonstrated that this proportionate scaling approach works well to appropriately explain the interaction between micro-/nanostructures and liquids. The Royal Society of Chemistry 2023-11-08 /pmc/articles/PMC10630934/ /pubmed/38025861 http://dx.doi.org/10.1039/d3ra05921a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Wang, Xiao
Chen, Lijun
Zhang, Chunlai
Zhang, Xiping
Wu, Yintao
Wang, Bo
Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title_full Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title_fullStr Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title_full_unstemmed Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title_short Proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
title_sort proportional scaling molecular dynamics simulations of the wetting experiments of water droplets on ink-patterned printing paper
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10630934/
https://www.ncbi.nlm.nih.gov/pubmed/38025861
http://dx.doi.org/10.1039/d3ra05921a
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