Issue

Vol. 16 (2024)

Exploration of the Existence Forms and Patterns of Dissolved Oxygen Molecules in Water

https://doi.org/10.1007/s40820-024-01427-z
Hewei Yuan
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Yaozhong Zhang
School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Xiaolu Huang
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Xiwu Zhang
Jinduo Yuchen Water Environment Engineering Co., Ltd, Shanghai 201702, People’s Republic of China
Jinjin Li
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Yufeng Huang
Jinduo Yuchen Water Environment Engineering Co., Ltd, Shanghai 201702, People’s Republic of China
Kun Li
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Haotian Weng
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Yang Xu
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Yafei Zhang
Key Laboratory of Thin Film and Microfabrication (Ministry of Education), Department of Micro/Nano Electronics, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China

Corresponding Author: Yafei Zhang

yfzhang@sjtu.edu.cn

Nano-Micro Letters, Vol. 16 (2024), Article Number: 208

Abstract

The structure of liquid water is primarily composed of three-dimensional networks of water clusters formed by hydrogen bonds, and dissolved oxygen is one of the most important indicators for assessing water quality. In this work, distilled water with different concentration of dissolved oxygen were prepared, and a clear negative correlation between the size of water clusters and dissolved oxygen concentration was observed. Besides, a phenomenon of rapid absorption and release of oxygen at the water interfaces was unveiled, suggesting that oxygen molecules predominantly exist at the interfaces of water clusters. Oxygen molecules can move rapidly through the interfaces among water clusters, allowing dissolved oxygen to quickly reach a saturation level at certain partial pressure of oxygen and temperature. Further exploration into the mechanism by molecular dynamics simulations of oxygen and water clusters found that oxygen molecules can only exist stably at the interfaces among water clusters. A semi-empirical formula relating the average number of water molecules in a cluster (n) to 17O NMR half-peak width (W) was summarized: n = 0.1 W + 0.85. These findings provide a foundation for exploring the structure and properties of water.


Highlights:
1 A clear negative correlation between the size of water clusters and the concentration of dissolved oxygen was observed. This implied that smaller clusters water exhibits higher concentrations of dissolved oxygen.
2 Oxygen molecules are primarily existed at the surfaces or interfaces of water clusters and can rapidly traverse the gas liquid interface.
3 A semi empirical formula relating the average number of water molecules in a cluster to 17O NMR half peak width was derived, demonstrating an approximate lin ear relationship.

Keywords

Water clusters Dissolved oxygen 17O NMR Molecular dynamics simulation
Yuan, Hewei, Yaozhong Zhang, Xiaolu Huang, Xiwu Zhang, Jinjin Li, Yufeng Huang, Kun Li, Haotian Weng, Yang Xu, and Yafei Zhang. 2024. “Exploration of the Existence Forms and Patterns of Dissolved Oxygen Molecules in Water”. Nano-Micro Letters 16 (June):208. https://doi.org/10.1007/s40820-024-01427-z.
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