Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)
文献类型：期刊论文
| 作者 | Li, Yuqing,,; Han, Zehua,; Ma, Changli,; Hong, Liang; Ding, Yanwei; Chen, Ye ; Zhao, Junpeng; Liu, Dong; Sun, Guangai; Zuo, Taisen,
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| 刊名 | Structural Dynamics
 |
| 出版日期 | 2022 |
| 卷号 | 9期号:5页码:54901 |
| DOI | 10.1063/4.0000158 |
| 文献子类 | Article |
| 英文摘要 | The statics and dynamics of supercooled water in the hydration layer of poly(ethylene glycol) (PEG) were studied by a combination of quasi-elastic neutron scattering (QENS) and molecular dynamics (MD) simulations. Two samples, that is, hydrogenated PEG/deuterated water (h-PEG/D2O) and fully deuterated PEG/hydrogenated water (d-PEG/H2O) with the same molar ratio of ethylene glycol (EG) monomer to water, 1:1, are compared. The QENS data of h-PEG/D2O show the dynamics of PEG, and that of d-PEG/H2O reveals the motion of water. The temperature-dependent elastic scattering intensity of both samples has shown transitions at supercooled temperature, and these transition temperatures depend on the energy resolution of the instruments. Therefore, neither one is a phase transition, but undergoes dynamic process. The dynamic of water can be described as an Arrhenius to super-Arrhenius transition, and it reveals the hydrogen bonding network relaxation of hydration water around PEG at supercooled temperature. Since the PEG-water hydrogen bond structural relaxation time from MD is in good agreement with the average relaxation time from QENS (d-PEG/H2O), MD may further reveal the atomic pictures of the supercooled hydration water. It shows that hydration water molecules form a series of pools around the hydrophilic oxygen atom of PEG. At supercooled temperature, they have a more bond ordered structure than bulk water, proceed a trapping sites diffusion on the PEG surface, and facilitate the structural relaxation of PEG backbone. © 2022 Author(s). |
| 电子版国际标准刊号 | 23297778 |
| 语种 | 英语 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/300384]  |
| 专题 | 高能物理研究所_东莞分部 高能物理研究所_实验物理中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Li, Yuqing,,,Han, Zehua,,Ma, Changli,,et al. Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)[J]. Structural Dynamics,2022,9(5):54901. |
| APA | Li, Yuqing,,.,Han, Zehua,.,Ma, Changli,.,Hong, Liang.,Ding, Yanwei.,...&Han, Charles C..(2022).Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol).Structural Dynamics,9(5),54901. |
| MLA | Li, Yuqing,,,et al."Structure and dynamics of supercooled water in the hydration layer of poly(ethylene glycol)".Structural Dynamics 9.5(2022):54901. |
入库方式： OAI收割
来源：高能物理研究所
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