| Issue |
EPJ Web Conf.
Volume 350, 2026
International Conference on Applied Sciences and Innovation (ICASIN’2025)
|
|
|---|---|---|
| Article Number | 03007 | |
| Number of page(s) | 7 | |
| Section | Energy Economics, Governance, and Societal Applications | |
| DOI | https://doi.org/10.1051/epjconf/202635003007 | |
| Published online | 03 February 2026 | |
https://doi.org/10.1051/epjconf/202635003007
The effect of urea mole fraction on the solvation structure using molecular dynamics simulations
LPTPME, Department of Physics, Faculty of Sciences, Mohammed First University, Oujda, Morocco
* Corresponding author: This email address is being protected from spambots. You need JavaScript enabled to view it.
Published online: 3 February 2026
We examine the local structure and solvation properties of urea in water at various mole fractions using molecular dynamics simulations. The study investigates the radial distribution and the nearest neighbor radial distribution functions between urea and water atoms, including O(urea)-H(water), H(urea)-O(water) and N(urea)-H(water) interactions. These interactions contribute to a better understanding of the local structure as well as the hydrogen bonding behaviors within the mixture. Our results indicate that the local structure around urea is preserved and provide molecular level information on the effect of urea molar fractions on the hydrogen bond network and solvation structure of aqueous urea solutions.
Key words: Urea–water interactions / Molecular dynamics simulations / Hydrogen bonding / Solvation structure / Radial distribution function
© The Authors, published by EDP Sciences, 2026
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.