메뉴 건너뛰기




Volumn 6, Issue 4, 2015, Pages 700-705

Direct correlation between ionic liquid transport properties and ion pair lifetimes: A molecular dynamics study

Author keywords

ion pair; ionic conductivity; self diffusivity; viscosity

Indexed keywords

DIFFUSION; INTEGRATED CIRCUITS; IONIC CONDUCTIVITY; IONIC LIQUIDS; MOLECULAR DYNAMICS; VISCOSITY;

EID: 84923379172     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00003     Document Type: Article
Times cited : (228)

References (36)
  • 1
    • 34548640143 scopus 로고    scopus 로고
    • Continuous Reactions Using Ionic Liquids as Catalytic Phase
    • Wasserscheid, P. Continuous Reactions Using Ionic Liquids as Catalytic Phase J. Ind. Eng. Chem. 2007, 13, 325-338
    • (2007) J. Ind. Eng. Chem. , vol.13 , pp. 325-338
    • Wasserscheid, P.1
  • 2
    • 38349047179 scopus 로고    scopus 로고
    • Applications of Ionic Liquids in the Chemical Industry
    • Plechkova, N.; Seddon, K. R. Applications of Ionic Liquids in the Chemical Industry Chem. Rev. 2008, 37, 123-150
    • (2008) Chem. Rev. , vol.37 , pp. 123-150
    • Plechkova, N.1    Seddon, K.R.2
  • 3
    • 70349592987 scopus 로고    scopus 로고
    • Molecular Simulation of Ionic Liquids: Current Status and Future Opportunities
    • Maginn, E. J. Molecular Simulation of Ionic Liquids: Current Status and Future Opportunities J. Phys.: Condens. Matter 2009, 21, 373101
    • (2009) J. Phys.: Condens. Matter , vol.21 , pp. 373101
    • Maginn, E.J.1
  • 5
    • 79955884563 scopus 로고    scopus 로고
    • Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis
    • Hallett, J. P.; Welton, T. Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis Chem. Rev. 2011, 111, 3058-3576
    • (2011) Chem. Rev. , vol.111 , pp. 3058-3576
    • Hallett, J.P.1    Welton, T.2
  • 7
    • 84863011819 scopus 로고    scopus 로고
    • Ionic Liquid Processing of Cellulose
    • Wang, H.; Gurau, G.; Rogers, R. D. Ionic Liquid Processing of Cellulose Chem. Soc. Rev. 2012, 41, 1519-1537
    • (2012) Chem. Soc. Rev. , vol.41 , pp. 1519-1537
    • Wang, H.1    Gurau, G.2    Rogers, R.D.3
  • 9
    • 34249725526 scopus 로고    scopus 로고
    • Why Does a Reduction in Hydrogen Bonding Lead to an Increase in Viscosity for the 1-Butyl-2,3-dimethyl-imidazolium-Based Ionic Liquids?
    • Hunt, P. A. Why Does a Reduction in Hydrogen Bonding Lead to an Increase in Viscosity for the 1-Butyl-2,3-dimethyl-imidazolium-Based Ionic Liquids? J. Phys. Chem. B 2007, 111, 4844-4853
    • (2007) J. Phys. Chem. B , vol.111 , pp. 4844-4853
    • Hunt, P.A.1
  • 10
    • 55249105469 scopus 로고    scopus 로고
    • Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids
    • Fumino, K.; Wulf, A.; Ludwig, R. Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids Angew. Chem., Int. Ed. 2008, 47, 8731-8734
    • (2008) Angew. Chem., Int. Ed. , vol.47 , pp. 8731-8734
    • Fumino, K.1    Wulf, A.2    Ludwig, R.3
  • 11
    • 84865249610 scopus 로고    scopus 로고
    • The Effect of C2 Substitution on Melting Point and Liquid Phase Dynamics of Imidazolium Based-Ionic Liquids: Insights from Molecular Dynamics Simulations
    • Zhang, Y.; Maginn, E. J. The Effect of C2 Substitution on Melting Point and Liquid Phase Dynamics of Imidazolium Based-Ionic Liquids: Insights from Molecular Dynamics Simulations Phys. Chem. Chem. Phys. 2012, 14, 12157-12164
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 12157-12164
    • Zhang, Y.1    Maginn, E.J.2
  • 12
    • 29144514662 scopus 로고    scopus 로고
    • Model for the Conductivity of Ionic Liquids Based on an Infinite Dilution of Holes
    • Abbott, A. P. Model for the Conductivity of Ionic Liquids Based on an Infinite Dilution of Holes ChemPhysChem 2005, 6, 2502-2505
    • (2005) ChemPhysChem , vol.6 , pp. 2502-2505
    • Abbott, A.P.1
  • 13
    • 33746895181 scopus 로고    scopus 로고
    • Transport Properties of Ionic Liquid 1-Ethyl-3-methylimidazolium Chloride from Equilibrium Molecular Dynamics Simulation the Effect of Temperature
    • Rey-Castro, C.; Vega, L. F. Transport Properties of Ionic Liquid 1-Ethyl-3-methylimidazolium Chloride from Equilibrium Molecular Dynamics Simulation. The Effect of Temperature J. Phys. Chem. B 2006, 110, 14426-14435
    • (2006) J. Phys. Chem. B , vol.110 , pp. 14426-14435
    • Rey-Castro, C.1    Vega, L.F.2
  • 14
    • 84860445347 scopus 로고    scopus 로고
    • Viscosity of Ionic Liquids: Database, Observation, and Quantitative Structure-Property Relationship Analysis
    • Yu, G.; Zhao, D.; Wen, L.; Yang, S.; Chen, X. Viscosity of Ionic Liquids: Database, Observation, and Quantitative Structure-Property Relationship Analysis AIChE J. 2012, 58, 2885-2899
    • (2012) AIChE J. , vol.58 , pp. 2885-2899
    • Yu, G.1    Zhao, D.2    Wen, L.3    Yang, S.4    Chen, X.5
  • 15
    • 0000453734 scopus 로고
    • Uber Organische Losungs- und Ionisierungsmittel. III. Teil: Innere Reibung und deren Zusammenhang mit dem Leitvermogen
    • Walden, P. Z. Uber Organische Losungs- und Ionisierungsmittel. III. Teil: Innere Reibung und deren Zusammenhang mit dem Leitvermogen Z. Phys. Chem. 1906, 55, 207-249
    • (1906) Z. Phys. Chem. , vol.55 , pp. 207-249
    • Walden, P.Z.1
  • 16
    • 33750378782 scopus 로고    scopus 로고
    • How Ionic Are Room-Temperature Ionic Liquids? An Indicator of the Physicochemical Properties
    • Tokuda, H.; Tsuzuki, S.; Suan, M. A. H.; Hayamizu, K.; Watanabe, M. How Ionic Are Room-Temperature Ionic Liquids? An Indicator of the Physicochemical Properties J. Phys. Chem. B 2006, 110, 19593-19600
    • (2006) J. Phys. Chem. B , vol.110 , pp. 19593-19600
    • Tokuda, H.1    Tsuzuki, S.2    Suan, M.A.H.3    Hayamizu, K.4    Watanabe, M.5
  • 17
    • 0038789213 scopus 로고    scopus 로고
    • Ionic Liquids: Ion Mobilities, Glass Temperatures, and Fragilities
    • Xu, W.; Cooper, E. I.; Angell, C. A. Ionic Liquids: Ion Mobilities, Glass Temperatures, and Fragilities J. Phys. Chem. B 2003, 107, 6170-6178
    • (2003) J. Phys. Chem. B , vol.107 , pp. 6170-6178
    • Xu, W.1    Cooper, E.I.2    Angell, C.A.3
  • 18
    • 17044368786 scopus 로고    scopus 로고
    • Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation
    • Tokuda, H.; Hayamizu, K.; Ishii, K.; Susan, M. A. B. H.; Watanabe, M. Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation J. Phys. Chem. B 2005, 109, 6103-6110
    • (2005) J. Phys. Chem. B , vol.109 , pp. 6103-6110
    • Tokuda, H.1    Hayamizu, K.2    Ishii, K.3    Susan, M.A.B.H.4    Watanabe, M.5
  • 19
    • 77954894916 scopus 로고    scopus 로고
    • Relations between the Fractional Stokes-Einstein and Nernst-Einstein Equations and Velocity Correlation Coefficients in Ionic Liquids and Molten Salts
    • Harris, K. R. Relations between the Fractional Stokes-Einstein and Nernst-Einstein Equations and Velocity Correlation Coefficients in Ionic Liquids and Molten Salts J. Phys. Chem. B 2010, 114, 9572-9577
    • (2010) J. Phys. Chem. B , vol.114 , pp. 9572-9577
    • Harris, K.R.1
  • 21
    • 1242309777 scopus 로고    scopus 로고
    • Structure of Ionic Liquids of 1-Alkyl-3-methylimidazolium Cations: A Systematic Computer Simulation Study
    • Urahata, S. M.; Ribeiro, M. C. Structure of Ionic Liquids of 1-Alkyl-3-methylimidazolium Cations: A Systematic Computer Simulation Study J. Chem. Phys. 2004, 120, 1855-1863
    • (2004) J. Chem. Phys. , vol.120 , pp. 1855-1863
    • Urahata, S.M.1    Ribeiro, M.C.2
  • 22
    • 24644486893 scopus 로고    scopus 로고
    • Unique Spatial Heterogeneity in Ionic Liquids
    • Wang, Y.; Voth, G. Unique Spatial Heterogeneity in Ionic Liquids J. Am. Chem. Soc. 2005, 127, 12192-12193
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 12192-12193
    • Wang, Y.1    Voth, G.2
  • 23
    • 34249707266 scopus 로고    scopus 로고
    • Nanoscale Segregation in Room Temperature Ionic Liquids
    • Triolo, A.; Russina, O.; Bleif, H.-J.; Di Cola, E. Nanoscale Segregation in Room Temperature Ionic Liquids J. Phys. Chem. B 2007, 111, 4641-4644
    • (2007) J. Phys. Chem. B , vol.111 , pp. 4641-4644
    • Triolo, A.1    Russina, O.2    Bleif, H.-J.3    Di Cola, E.4
  • 24
    • 0042027235 scopus 로고    scopus 로고
    • Room Temperature Ionic Liquids of Alkylimidazolium Cations and Fluoroanions
    • Hagiwara, R.; Ito, Y. Room Temperature Ionic Liquids of Alkylimidazolium Cations and Fluoroanions J. Fluorine Chem. 2000, 105, 221-227
    • (2000) J. Fluorine Chem. , vol.105 , pp. 221-227
    • Hagiwara, R.1    Ito, Y.2
  • 25
    • 33644766490 scopus 로고    scopus 로고
    • Characterization and Comparison of Hydrophilic and Hydrophobic Room Temperature Ionic Liquids Incorporating the Imidazolium Cation
    • Huddleston, J. G.; Visser, A. E.; Reichert, W. M.; Willauer, H. D.; Broker, G. A.; Rogers, R. D. Characterization and Comparison of Hydrophilic and Hydrophobic Room Temperature Ionic Liquids Incorporating the Imidazolium Cation Green Chem. 2001, 3, 156-164
    • (2001) Green Chem. , vol.3 , pp. 156-164
    • Huddleston, J.G.1    Visser, A.E.2    Reichert, W.M.3    Willauer, H.D.4    Broker, G.A.5    Rogers, R.D.6
  • 26
    • 15844373735 scopus 로고    scopus 로고
    • Effects of Alkyl Chain on Transport Properties in 1-Alkyl-3-methylimidazolium Hexafluorophosphates
    • Umecky, T.; Kanakubo, M.; Ikushima, Y. Effects of Alkyl Chain on Transport Properties in 1-Alkyl-3-methylimidazolium Hexafluorophosphates J. Mol. Liq. 2005, 119, 77-81
    • (2005) J. Mol. Liq. , vol.119 , pp. 77-81
    • Umecky, T.1    Kanakubo, M.2    Ikushima, Y.3
  • 27
    • 78650600588 scopus 로고    scopus 로고
    • Viscosity of (C2-C14) 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids in an Extended Temperature Range
    • Tariq, M.; Carvalho, P. J.; Coutinho, J. A. P.; Marrucho, I. M.; Lopes, J. N. C.; Rebelo, L. P. N. Viscosity of (C2-C14) 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids in an Extended Temperature Range Fluid Phase Equilib. 2011, 301, 22-32
    • (2011) Fluid Phase Equilib. , vol.301 , pp. 22-32
    • Tariq, M.1    Carvalho, P.J.2    Coutinho, J.A.P.3    Marrucho, I.M.4    Lopes, J.N.C.5    Rebelo, L.P.N.6
  • 28
    • 84876472457 scopus 로고    scopus 로고
    • Interpretation of the Variation of the Walden Product of Ionic Liquids with Different Alkyl Chain Lengths in Terms of Relaxation Spectra
    • Yamaguchi, T.; Nakahara, E.; Sueda, K.; Koda, S. Interpretation of the Variation of the Walden Product of Ionic Liquids with Different Alkyl Chain Lengths in Terms of Relaxation Spectra J. Phys. Chem. B 2013, 117, 4121-4126
    • (2013) J. Phys. Chem. B , vol.117 , pp. 4121-4126
    • Yamaguchi, T.1    Nakahara, E.2    Sueda, K.3    Koda, S.4
  • 29
    • 84903362532 scopus 로고    scopus 로고
    • Effect of Ion Structure on Conductivity in Lithium-Doped Ionic Liquid Electrolytes: A Molecular Dynamics Study
    • Liu, H.; Maginn, E. Effect of Ion Structure on Conductivity in Lithium-Doped Ionic Liquid Electrolytes: A Molecular Dynamics Study J. Chem. Phys. 2013, 139, 114508
    • (2013) J. Chem. Phys. , vol.139 , pp. 114508
    • Liu, H.1    Maginn, E.2
  • 30
    • 70449891416 scopus 로고    scopus 로고
    • Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1- n -Butyl-3-methylimidazolium Hexafluorophosphate
    • Zhao, W.; Leroy, F.; Heggen, B.; Zahn, S.; Kirchner, B.; Balasubramanian, S.; Muller-Plathe, F. Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1- n -Butyl-3-methylimidazolium Hexafluorophosphate J. Am. Chem. Soc. 2009, 131, 15825-15833
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 15825-15833
    • Zhao, W.1    Leroy, F.2    Heggen, B.3    Zahn, S.4    Kirchner, B.5    Balasubramanian, S.6    Muller-Plathe, F.7
  • 31
    • 33750298513 scopus 로고    scopus 로고
    • Ion Pairing
    • Marcus, Y.; Hefter, G. Ion Pairing Chem. Rev. 2006, 106, 4585-4621
    • (2006) Chem. Rev. , vol.106 , pp. 4585-4621
    • Marcus, Y.1    Hefter, G.2
  • 32
    • 1242265582 scopus 로고    scopus 로고
    • On the Structure and Dynamics of Ionic Liquids
    • Del Popolo, M.; Voth, G. On the Structure and Dynamics of Ionic Liquids J. Phys. Chem. B 2004, 108, 1744-1752
    • (2004) J. Phys. Chem. B , vol.108 , pp. 1744-1752
    • Del Popolo, M.1    Voth, G.2
  • 33
    • 84899848606 scopus 로고    scopus 로고
    • Ultrafast Structure and Dynamics in Ionic Liquids: 2D-IR Spectroscopy Probes the Molecular Origin of Viscosity
    • Ren, Z.; Ivanova, A. S.; Couchot-Vore, D.; Garrett-Roe, S. Ultrafast Structure and Dynamics in Ionic Liquids: 2D-IR Spectroscopy Probes the Molecular Origin of Viscosity J. Phys. Chem. Lett. 2014, 5, 1541-1546
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 1541-1546
    • Ren, Z.1    Ivanova, A.S.2    Couchot-Vore, D.3    Garrett-Roe, S.4
  • 34
    • 84871892696 scopus 로고    scopus 로고
    • A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids
    • Zhang, Y.; Maginn, E. J. A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids J. Phys. Chem. B 2012, 116, 10036-10048
    • (2012) J. Phys. Chem. B , vol.116 , pp. 10036-10048
    • Zhang, Y.1    Maginn, E.J.2
  • 35
    • 0002467378 scopus 로고
    • Fast Parallel Algorithms for Short-Range Molecular Dynamics
    • Plimpton, S. Fast Parallel Algorithms for Short-Range Molecular Dynamics J. Comput. Phys. 1995, 117, 1-19
    • (1995) J. Comput. Phys. , vol.117 , pp. 1-19
    • Plimpton, S.1
  • 36
    • 79952092219 scopus 로고    scopus 로고
    • Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1- n -Butyl-3-methylimidazolium Bromide
    • Kohagen, M.; Brehm, M.; Thar, J.; Zhao, W.; Muller-Plathe, F.; Kirchner, B. Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1- n -Butyl-3-methylimidazolium Bromide J. Phys. Chem. B 2011, 115, 693-702
    • (2011) J. Phys. Chem. B , vol.115 , pp. 693-702
    • Kohagen, M.1    Brehm, M.2    Thar, J.3    Zhao, W.4    Muller-Plathe, F.5    Kirchner, B.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.