Citation: Zhou Yongquan, Yamaguchi Toshio, Ikeda Kazutaka, Fang Chunhui, Yoshida Koji, Zhang Wenqian, Zhu Fayan, Liu Hongyan, Wang Guangguo. Structure of Liquid Water Studied by Neutron and X-Ray Scattering: Temperature Effects[J]. Chemistry, ;2020, 83(5): 434-441. shu

Structure of Liquid Water Studied by Neutron and X-Ray Scattering: Temperature Effects

1.
Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources, Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining, 810008
2.
Department of Chemistry, Faculty of Science, Fukuoka University; 8-19-1 Nanakuma, Jonan, Fukuoka 814-0180, Japan
3.
High Energy Accelerator Research Organization(KEK), Tsukuba, Ibaraki 305-0801, Japan
4.
Key Laboratory of Salt Lake Resources Chemistry of Qinghai Province, Xining, 810008

Corresponding author: Zhou Yongquan, yongqzhou@163.com
Received Date: 31 December 2019
Accepted Date: 6 February 2020

Figures(6)

Structure of liquid water in the temperature range of 298~373 K was studied by neutron and X-ray scattering. The influences of temperature on the structure of liquid water were discussed in terms of partial radial distribution function (PDF), coordination number distribution (CN), angular distribution function (ADF) and spatial density function (SDF). Liquid water possesses a short-range ordered, "Irregular tetrahedron" hydrogen-bonded network structure, which extends to the third sphere. Around 4.8 water molecules run into the first sphere of liquid water, but only about 3.3 of them bond with the central water molecule. About 1/3 of the water molecules act as the interstitial water, which enters the first layer but does not directly bond with the central water molecule. It is the presence of these interstitial water molecules that aggravates the complexity of the structure of liquid water. High temperature disturbs the structure of liquid water to a certain extent. From 298 K to 373 K, the O(W)…O(W) distance increases by 0.03Å, the number of hydrogen bonds decreases by 0.1, and the ∠O(W)…O(W)…O(W) angle distribution widens. In the limited temperature range of 298~373 K in the present work, the temperature effects are slight in the SDF for the first sphere, while much more significant effect is observed for the second and the third spheres.
- Water structure,
- Neutron scattering,
- X-ray scattering,
- Radial distribution function,
- EPSR
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沈阳化工大学材料科学与工程学院沈阳 110142