11 Papers
81 Citations
Li Li is an academic researcher from Jiangxi Normal University. The author has contributed to research in topics: Hydrogen bond & Ionic liquid. The author has an hindex of 4, co-authored 11 publications.
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Papers
Concentration-Dependent Hydrogen Bond Behavior of Ethylammonium Nitrate Protic Ionic Liquid–Water Mixtures Explored by Molecular Dynamics Simulations
TL;DR: In this article, the detailed hydrogen bond behavior of EAN ionic liquid (IL)-water mixtures with different water concentrations has been investigated at a molecular level by using classical molecular dynamics simulations.
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Structural Properties and Vibrational Spectra of Ethylammonium Nitrate Ionic Liquid Confined in Single-Walled Carbon Nanotubes
Guobing Zhou,Yunzhi Li,Zhen Yang,Fangjia Fu,Yiping Huang,Zheng Wan,Li Li,Xiangshu Chen,Na Hu,Liangliang Huang +9 more
TL;DR: In this paper, the vibrational spectra of an EAN ionic liquid (IL) confined in single-walled carbon nanotubes (SWCNTs) with various diameters have been investigated in detail by using classical molecular dynamics simulation.
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Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond.
TL;DR: Simulation results demonstrate that the self-diffusion coefficient Di of CH4 molecules decreases sharply and monotonically with the loading while those of both CO2 and SO2 molecules initially display a slight increase at low uptakes and follow a slow decrease at high uptakes.
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Unique orientations and rotational dynamics of a 1-butyl-3-methyl-imidazolium hexafluorophosphate ionic liquid at the gas–liquid interface: the effects of the hydrogen bond and hydrophobic interactions
Deshuai Yang,Deshuai Yang,Fangjia Fu,Li Li,Zhen Yang,Zheng Wan,Yi Luo,Na Hu,Xiangshu Chen,Guixiang Zeng +9 more
TL;DR: Simulation results provide a molecular-level understanding of the effects of HB and hydrophobic interactions on the unique properties of imidazolium-based ILs at the gas-liquid interface.
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Molecular-level insights into composition-dependent structure, dynamics, and hydrogen bonds of binary ionic liquid mixture from molecular dynamics simulations
TL;DR: In this paper, a series of molecular dynamics simulations were performed to explore structure, dynamics, and hydrogen bonds (HBs) of the imidazolium-based ionic liquid (IL) mixture containing [Emim][BF4]x[NTF2]-1−x, where the molar fraction is 0.0, 0.25,0.75, and 1.0.
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