Molecular dynamics simulations of temperature-dependent structures and dynamics of ethylammonium nitrate protic ionic liquid: The role of hydrogen bond
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- 作者：Yiping Huanga ; Guobing Zhoua ; Yunzhi Lia ; Zhen Yanga ; yangzhen@jxnu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Man Shia ; Xueping Wanga ; Xiangshu Chena ; cxs66cn@jxnu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Fei Zhanga ; Wei Lib
- 关键词：Protic ionic liquid ; Hydrogen bond ; Diffusion ; Ion-pair dissociation ; Molecular dynamics simulation
- 刊名：Chemical Physics
- 出版年：2016
- 出版时间：15 June 2016
- 年：2016
- 卷：472
- 期：Complete
- 页码：105-111
- 全文大小：1675 K
文摘
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Hydrogen bonds play an essential role in determining dynamics properties of protic ionic liquids.
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Temperature has an important influence on dynamics properties rather than structures.
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Both anions and cations are found to display an obvious sub-diffusive behavior regardless of the temperature.