All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers

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Publication or External Link

https://doi.org/10.1039/d4cp02128b

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Date

2024

Authors

Advisor

Citation

Smook, L. A., Ishraaq, R., Akash, T. S., De Beer, S., & Das, S. (2024). All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers. Physical Chemistry Chemical Physics, 26(39), 25557-25566. https://doi.org/10.1039/d4cp02128b

DRUM DOI

https://doi.org/10.13016/8law-7ewj

Abstract

We study the absorption of small organic molecules in polyelectrolyte brush layers in atomistic detail for the first time.

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URI (handle)

http://hdl.handle.net/1903/35755

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Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/

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Mechanical Engineering Research Works
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