Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations (original) (raw)
Mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and acetonitrile: a molecular simulation
Oleg Victor Prezhdo
2011
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Simulations of Ionic Liquids, Solutions, and Surfaces
Ruth Lynden-bell
Accounts of Chemical Research, 2007
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The Structure of a Room-Temperature Ionic Liquid with and without Trace Amounts of Water: The Role of CH⋅⋅⋅O and CH⋅⋅⋅F Interactions in 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate
Chieu D Tran
Angewandte Chemie International Edition, 2003
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Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models
Rachel Schurhammer
Physical Chemistry Chemical Physics, 2006
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Surface Tension of Binary Mixtures of 1-Alkyl-3-Methylimidazolium Bis (trifluoromethylsulfonyl) imide Ionic Liquids: Experimental Measurements and Soft-SAFT Modeling
Óscar Cabeza
2012
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What does an ionic liquid surface really look like? Unprecedented details from molecular simulations
Miguel Jorge
Physical Chemistry Chemical Physics, 2011
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Ab initio molecular dynamics simulation of ionic liquids
Mohammad Hadi Ghatee
Chemical Physics, 2007
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Interfacial properties of the ionic liquid [bmim] [triflate] over a wide range of temperatures
Jose Rivera
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Molecular Structure and Dynamics of Interfacial Polymerized Ionic Liquids
Rui Qiao
The Journal of Physical Chemistry C
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Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations
mohammad kowsari
Journal of Physical Chemistry B, 2016
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On the interfacial behavior of ionic liquids: Surface tensions and contact angles
José Restolho
Journal of Colloid and Interface Science, 2009
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Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions
Agilio Padua
Journal of Physical Chemistry B, 2004
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Molecular Dynamics Simulation of the Ionic Liquid N Ethyl N,N -dimethyl- N -(2-methoxyethyl)ammonium Bis(trifluoromethanesulfonyl)imide
Mauro Carlos Costa Ribeiro
Journal of Physical Chemistry B, 2007
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Density and Surface Tension of Ionic Liquids
Till Cremer
The Journal of Physical Chemistry B, 2010
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Room temperature ionic liquids containing low water concentrations—a molecular dynamics study
Paul Popelier
Physical Chemistry Chemical Physics, 2008
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Computational study of 1-Butyl-3-methylimidazolium tetrafluoroborate ionic liquid-water system
Silvia Patachia
2008
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Surface of Half-Neutralized Diamine Triflate Ionic Liquids. A Molecular Dynamics Study of Structure, Thermodynamics, and Kinetics of Water Absorption and Evaporation
Pietro Ballone
Journal of Physical Chemistry B, 2019
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Revisiting imidazolium based ionic liquids: Effect of the conformation bias of the [NTf2] anion studied by molecular dynamics simulations
Ralf Ludwig
The Journal of Chemical Physics, 2018
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Interaction of Water with the Model Ionic Liquid [bmim][BF 4 ]: Molecular Dynamics Simulations and Comparison with NMR Data
Guido Raos
The Journal of Physical Chemistry B, 2008
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Dynamics of water molecules at liquid–vapour interfaces of aqueous ionic solutions: effects of ion concentration
Amalendu Chandra, Sandip Paul
Chemical Physics Letters, 2003
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Interfaces between charged surfaces and ionic liquids: Insights from molecular simulations
Vladislav Ivanistsev
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Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: A simulational study
Baofu Qiao
The Journal of …, 2008
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Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid–water mixtures
Óscar Cabeza
Journal of Physics: Condensed Matter
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Ion pair free energy surface as a probe of ionic liquid structure
Kalil Bernardino
The Journal of Chemical Physics
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Surface tension of pure and water-containing ionic liquid C5MIBF4 (1-methyl-3-pentylimidazolium tetrafluoroborate)
tong jing
Journal of Colloid and Interface Science, 2007
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What Far-Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations
Ralf Ludwig
ChemPhysChem, 2009
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Polarizability effects on the structure and dynamics of ionic liquids
Munir Skaf, Mauro Carlos Costa Ribeiro
The Journal of chemical physics, 2014
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Surface Tensions of Bis(trifluoromethylsulfonyl)imide Anion-Based Ionic Liquids
Catarina M S S Neves, Pedro Carvalho
Journal of Chemical & Engineering Data, 2010
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Surface Tensions for the 1Alkyl3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids
Mara Freire
Journal of Chemical and Engineering Data, 2008
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Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and γ-Al2O3 (100) surface calculated by density functional theory
Mateus J Martins
International Journal of Quantum Chemistry, 2012
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How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1- n -Butyl-3-methylimidazolium Bromide
Rustem Valiullin
The Journal of Physical Chemistry B, 2011
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Molecular Dynamic Simulations of Ionic Liquids: A Reliable Description of Structure, Thermodynamics and Dynamics
Ralf Ludwig
ChemPhysChem, 2007
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