Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: How mixing tetraglyme with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide changes volumetric and transport properties: An experimental and computational study

Authors:
; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1411472
Grant/Contract Number:  
AC02–06CH11357; AC02–05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Chemical Engineering Science
Additional Journal Information:
Journal Name: Chemical Engineering Science Journal Volume: 159 Journal Issue: C; Journal ID: ISSN 0009-2509
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Sharma, Akash, Zhang, Yong, Gohndrone, Thomas, Oh, Seungmin, Brennecke, Joan F., McCready, Mark J., and Maginn, Edward J. How mixing tetraglyme with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide changes volumetric and transport properties: An experimental and computational study. United Kingdom: N. p., 2017. Web. doi:10.1016/j.ces.2016.05.006.
Copy to clipboard
Sharma, Akash, Zhang, Yong, Gohndrone, Thomas, Oh, Seungmin, Brennecke, Joan F., McCready, Mark J., & Maginn, Edward J. How mixing tetraglyme with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide changes volumetric and transport properties: An experimental and computational study. United Kingdom. https://doi.org/10.1016/j.ces.2016.05.006
Copy to clipboard
Sharma, Akash, Zhang, Yong, Gohndrone, Thomas, Oh, Seungmin, Brennecke, Joan F., McCready, Mark J., and Maginn, Edward J. Wed . "How mixing tetraglyme with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide changes volumetric and transport properties: An experimental and computational study". United Kingdom. https://doi.org/10.1016/j.ces.2016.05.006.
Copy to clipboard
@article{osti_1411472,
title = {How mixing tetraglyme with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide changes volumetric and transport properties: An experimental and computational study},
author = {Sharma, Akash and Zhang, Yong and Gohndrone, Thomas and Oh, Seungmin and Brennecke, Joan F. and McCready, Mark J. and Maginn, Edward J.},
abstractNote = {},
doi = {10.1016/j.ces.2016.05.006},
journal = {Chemical Engineering Science},
number = C,
volume = 159,
place = {United Kingdom},
year = {Wed Feb 01 00:00:00 EST 2017},
month = {Wed Feb 01 00:00:00 EST 2017}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Accepted Manuscript (Publisher)
Publisher's Version of Record
https://doi.org/10.1016/j.ces.2016.05.006
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 18 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes
journal, November 2004

  • Stubbs, John M.; Potoff, Jeffrey J.; Siepmann, J. Ilja
  • The Journal of Physical Chemistry B, Vol. 108, Issue 45
  • DOI: 10.1021/jp049459w

Undoing Lithium Ion Association in Ionic Liquids through the Complexation by Oligoethers
journal, August 2010

  • Bayley, Paul M.; Lane, G. H.; Lyons, L. J.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 48
  • DOI: 10.1021/jp104957j

How Ionic Are Room-Temperature Ionic Liquids? An Indicator of the Physicochemical Properties
journal, October 2006

  • Tokuda, Hiroyuki; Tsuzuki, Seiji; Susan, Md. Abu Bin Hasan
  • The Journal of Physical Chemistry B, Vol. 110, Issue 39
  • DOI: 10.1021/jp064159v

Interaction between the π-System of Toluene and the Imidazolium Ring of Ionic Liquids: A Combined NMR and Molecular Simulation Study
journal, January 2009

  • Gutel, Thibaut; Santini, Catherine C.; Pádua, Agílio A. H.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 1
  • DOI: 10.1021/jp805573t

On the concept of ionicity in ionic liquids
journal, January 2009

  • MacFarlane, Douglas R.; Forsyth, Maria; Izgorodina, Ekaterina I.
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 25
  • DOI: 10.1039/b900201d

Temperature and Pressure Dependence of the Viscosity of the Ionic Liquids 1-Hexyl-3-methylimidazolium Hexafluorophosphate and 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
journal, May 2007

  • Harris, Kenneth R.; Kanakubo, Mitsuhiro; Woolf, Lawrence A.
  • Journal of Chemical & Engineering Data, Vol. 52, Issue 3
  • DOI: 10.1021/je700032n

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method
journal, July 2015

  • Zhang, Yong; Otani, Akihito; Maginn, Edward J.
  • Journal of Chemical Theory and Computation, Vol. 11, Issue 8
  • DOI: 10.1021/acs.jctc.5b00351

Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range
journal, February 2011

  • Tariq, Mohammad; Carvalho, Pedro J.; Coutinho, João A. P.
  • Fluid Phase Equilibria, Vol. 301, Issue 1
  • DOI: 10.1016/j.fluid.2010.10.018

Thermophysical Properties of Five Acetate-Based Ionic Liquids
journal, October 2012

  • Almeida, Hugo F. D.; Passos, Helena; Lopes-da-Silva, José A.
  • Journal of Chemical & Engineering Data, Vol. 57, Issue 11
  • DOI: 10.1021/je300487n

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Influence of chloride, water, and organic solvents on the physical properties of ionic liquids
journal, January 2000

  • Seddon, Kenneth R.; Stark, Annegret; Torres, María-José
  • Pure and Applied Chemistry, Vol. 72, Issue 12
  • DOI: 10.1351/pac200072122275

Viscosity, Density, Speed of Sound, and Refractive Index of Binary Mixtures of Organic Solvent + Ionic Liquid, 1-Butyl-3-methylimidazolium Hexafluorophosphate at 298.15 K
journal, November 2007

  • Zafarani-Moattar, Mohammed Taghi; Majdan-Cegincara, Roghayeh
  • Journal of Chemical & Engineering Data, Vol. 52, Issue 6
  • DOI: 10.1021/je700338t

Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture
journal, December 2010

  • Gurkan, B.; Goodrich, B. F.; Mindrup, E. M.
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 24, p. 3494-3499
  • DOI: 10.1021/jz101533k

Electrochemical Reactivity in Room-Temperature Ionic Liquids
journal, July 2008

  • Hapiot, Philippe; Lagrost, Corinne
  • Chemical Reviews, Vol. 108, Issue 7
  • DOI: 10.1021/cr0680686

Electrochemical Applications of Room-Temperature Ionic Liquids
journal, March 2007

  • Tsuda, Tetsuya; Hussey, Charles L.
  • The Electrochemical Society Interface, Vol. 16, Issue 1
  • DOI: 10.1149/2.F05071IF

Mixtures of ionic liquids
journal, January 2012

  • Niedermeyer, Heiko; Hallett, Jason P.; Villar-Garcia, Ignacio J.
  • Chemical Society Reviews, Vol. 41, Issue 23
  • DOI: 10.1039/c2cs35177c

Determination of Mg 2+ Speciation in a TFSI – -Based Ionic Liquid With and Without Chelating Ethers Using Raman Spectroscopy
journal, June 2015

  • Watkins, Tylan; Buttry, Daniel A.
  • The Journal of Physical Chemistry B, Vol. 119, Issue 23
  • DOI: 10.1021/acs.jpcb.5b00339

Density, viscosity, and solubility of carbon dioxide in glymes
journal, March 2011

Concentration dependence of viscosity of aqueous electrolytes. A probe into the higher concentration
journal, December 1983

  • Mahiuddin, S.; Ismail, K.
  • The Journal of Physical Chemistry, Vol. 87, Issue 25
  • DOI: 10.1021/j150643a036

Development and testing of a general amber force field
journal, January 2004

  • Wang, Junmei; Wolf, Romain M.; Caldwell, James W.
  • Journal of Computational Chemistry, Vol. 25, Issue 9
  • DOI: 10.1002/jcc.20035

Ionic Liquids in Electrochemical Devices and Processes: Managing Interfacial Electrochemistry
journal, November 2007

  • MacFarlane, Douglas R.; Forsyth, Maria; Howlett, Patrick C.
  • Accounts of Chemical Research, Vol. 40, Issue 11
  • DOI: 10.1021/ar7000952

Measurement of High-Pressure Densities and Atmospheric Viscosities of Ionic Liquids: 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide and 1-Hexyl-3-methylimidazolium Chloride
journal, February 2014

  • Iguchi, Masayuki; Hiraga, Yuya; Sato, Yoshiyuki
  • Journal of Chemical & Engineering Data, Vol. 59, Issue 3
  • DOI: 10.1021/je4007844

Thermophysical properties of 1-hexyl-3-methyl imidazolium based ionic liquids with tetrafluoroborate, hexafluorophosphate and bis(trifluoromethylsulfonyl)imide anions
journal, September 2008

  • Muhammad, Ayyaz; Abdul Mutalib, M. I.; Wilfred, C. D.
  • The Journal of Chemical Thermodynamics, Vol. 40, Issue 9
  • DOI: 10.1016/j.jct.2008.04.016

Molecular Dynamics Simulation of the Energetic Room-Temperature Ionic Liquid, 1-Hydroxyethyl-4-amino-1,2,4-triazolium Nitrate (HEATN)
journal, March 2008

  • Jiang, Wei; Yan, Tianying; Wang, Yanting
  • The Journal of Physical Chemistry B, Vol. 112, Issue 10
  • DOI: 10.1021/jp710653g

Separation of methyl acetate+methanol azeotropic mixture using ionic liquids as entrainers
journal, September 2015

Chelate Effects in Glyme/Lithium Bis(trifluoromethanesulfonyl)amide Solvate Ionic Liquids. I. Stability of Solvate Cations and Correlation with Electrolyte Properties
journal, May 2014

  • Zhang, Ce; Ueno, Kazuhide; Yamazaki, Azusa
  • The Journal of Physical Chemistry B, Vol. 118, Issue 19
  • DOI: 10.1021/jp501319e

Reaction kinetics of CO2 absorption in to phosphonium based anion-functionalized ionic liquids
journal, January 2013

  • Gurkan, Burcu E.; Gohndrone, Thomas R.; McCready, Mark J.
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 20
  • DOI: 10.1039/c3cp51289d

Dramatic Change in Viscosities of Pure Ionic Liquids upon Addition of Molecular Solvents
journal, March 2009

On the Structure and Dynamics of Ionic Liquids
journal, February 2004

  • Del Pópolo, Mario G.; Voth, Gregory A.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 5
  • DOI: 10.1021/jp0364699

Effect of Water and Organic Solvents on the Ionic Dissociation of Ionic Liquids
journal, June 2007

  • Li, Wenjing; Zhang, Zhaofu; Han, Buxing
  • The Journal of Physical Chemistry B, Vol. 111, Issue 23
  • DOI: 10.1021/jp071051m

Comparing reduced partial charge models with polarizable simulations of ionic liquids
journal, January 2012

  • Schröder, Christian
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 9
  • DOI: 10.1039/c2cp23329k

Understanding the Effect of the C2 Proton in Promoting Low Viscosities and High Conductivities in Imidazolium-Based Ionic Liquids: Part I. Weakly Coordinating Anions
journal, December 2011

  • Izgorodina, Ekaterina I.; Maganti, Radha; Armel, Vanessa
  • The Journal of Physical Chemistry B, Vol. 115, Issue 49
  • DOI: 10.1021/jp208573y

Transport properties of ionic liquid electrolytes with organic diluents
journal, January 2009

  • Bayley, Paul M.; Lane, George H.; Rocher, Nathalie M.
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 33
  • DOI: 10.1039/b902200g

Excess Molar Volumes and Viscosities of Mixtures Containing Some Polyethers + Acetonitrile at 298.15 K
journal, November 1999

  • Pal, Amalendu; Kumar, Harsh
  • Journal of Chemical & Engineering Data, Vol. 44, Issue 6
  • DOI: 10.1021/je990132b

Analysis of Recent Measurements of the Viscosity of Glasses
journal, June 1925

Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids
journal, January 2015

  • Shimizu, Karina; Freitas, Adilson A.; Atkin, Rob
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 34
  • DOI: 10.1039/C5CP03414K

Mixing ionic liquids – “simple mixtures” or “double salts”?
journal, January 2014

  • Chatel, Gregory; Pereira, Jorge F. B.; Debbeti, Varun
  • Green Chemistry, Vol. 16, Issue 4
  • DOI: 10.1039/c3gc41389f

Physicochemical and Electrochemical Properties of Ionic Liquids Containing Aprotic Heterocyclic Anions Doped With Lithium Salts
journal, January 2013

  • Shi, Chaojun; Quiroz-Guzman, Mauricio; DeSilva, Aruni
  • Journal of The Electrochemical Society, Vol. 160, Issue 9
  • DOI: 10.1149/2.116309jes

Ionic Liquids: Past, present and future
journal, January 2012

  • Austen Angell, C.; Ansari, Younes; Zhao, Zuofeng
  • Faraday Discuss., Vol. 154
  • DOI: 10.1039/C1FD00112D

Measurement of the vapor pressure of 2,2,2-trifluoroethanol and tetraethylene glycol dimethyl ether by static method
journal, July 1995

Electrochemical Properties of Imidazolium Salt Electrolytes for Electrochemical Capacitor Applications
journal, January 1999

  • McEwen, Alan B.
  • Journal of The Electrochemical Society, Vol. 146, Issue 5
  • DOI: 10.1149/1.1391827

Effect of Ionic Size on Solvate Stability of Glyme-Based Solvate Ionic Liquids
journal, January 2015

  • Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji
  • The Journal of Physical Chemistry B, Vol. 119, Issue 4
  • DOI: 10.1021/jp508100s

Supercooled Liquids
book, January 2007

Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking
journal, May 2003

  • Martínez, José Mario; Martínez, Leandro
  • Journal of Computational Chemistry, Vol. 24, Issue 7
  • DOI: 10.1002/jcc.10216

Ionic liquids: solvent properties and organic reactivity
journal, January 2005

  • Chiappe, Cinzia; Pieraccini, Daniela
  • Journal of Physical Organic Chemistry, Vol. 18, Issue 4
  • DOI: 10.1002/poc.863

The effect of C2 substitution on melting point and liquid phase dynamics of imidazolium based-ionic liquids: insights from molecular dynamics simulations
journal, January 2012

  • Zhang, Yong; Maginn, Edward J.
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 35
  • DOI: 10.1039/c2cp41964e

Glyme-based nonaqueous electrolytes for rechargeable lithium cells
journal, March 2004

Molecular Dynamics Simulation of Ionic Liquids:  The Effect of Electronic Polarizability
journal, August 2004

  • Yan, Tianying; Burnham, Christian J.; Del Pópolo, Mario G.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 32
  • DOI: 10.1021/jp047619y

Molecular dynamics study of the effect of alkyl chain length on melting points of [C n MIM][PF 6 ] ionic liquids
journal, January 2014

  • Zhang, Yong; Maginn, Edward J.
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 26
  • DOI: 10.1039/C4CP01048E

Phase transition and decomposition temperatures, heat capacities and viscosities of pyridinium ionic liquids
journal, June 2005

  • Crosthwaite, Jacob M.; Muldoon, Mark J.; Dixon, JaNeille K.
  • The Journal of Chemical Thermodynamics, Vol. 37, Issue 6
  • DOI: 10.1016/j.jct.2005.03.013

Li + solvation in glyme–Li salt solvate ionic liquids
journal, January 2015

  • Ueno, Kazuhide; Tatara, Ryoichi; Tsuzuki, Seiji
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 12
  • DOI: 10.1039/C4CP05943C

Canonical dynamics: Equilibrium phase-space distributions
journal, March 1985

A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids
journal, August 2012

  • Zhang, Yong; Maginn, Edward J.
  • The Journal of Physical Chemistry B, Vol. 116, Issue 33
  • DOI: 10.1021/jp3037999

Effect of ion structure on conductivity in lithium-doped ionic liquid electrolytes: A molecular dynamics study
journal, September 2013

  • Liu, Hongjun; Maginn, Edward
  • The Journal of Chemical Physics, Vol. 139, Issue 11
  • DOI: 10.1063/1.4821155

Ionic Conductivity and Viscosity of Solvate Ionic Liquids Composed of Glymes and Excess Lithium Bis(Trifluoromethylsulfonyl)Amide
journal, January 2015

Imidazolium-Based Ionic Liquids Formed with Dicyanamide Anion:  Influence of Cationic Structure on Ionic Conductivity
journal, October 2007

  • Yoshida, Yukihiro; Baba, Osamu; Larriba, Carlos
  • The Journal of Physical Chemistry B, Vol. 111, Issue 42
  • DOI: 10.1021/jp0745236

Solubility of greenhouse and acid gases on the [C4mim][MeSO4] ionic liquid for gas separation and CO2 conversion
journal, October 2015

Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation
journal, April 2005

  • Tokuda, Hiroyuki; Hayamizu, Kikuko; Ishii, Kunikazu
  • The Journal of Physical Chemistry B, Vol. 109, Issue 13
  • DOI: 10.1021/jp044626d

Density and viscosity of several pure and water-saturated ionic liquids
journal, January 2006

  • Jacquemin, J.; Husson, P.; Padua, A. A. H.
  • Green Chem., Vol. 8, Issue 2
  • DOI: 10.1039/B513231B

Physical Properties and CO 2 Reaction Pathway of 1-Ethyl-3-Methylimidazolium Ionic Liquids with Aprotic Heterocyclic Anions
journal, December 2014

  • Seo, Samuel; DeSilva, M. Aruni; Brennecke, Joan F.
  • The Journal of Physical Chemistry B, Vol. 118, Issue 51
  • DOI: 10.1021/jp509583c

Polarity, Viscosity, and Ionic Conductivity of Liquid Mixtures Containing [C 4 C 1 im][Ntf 2 ] and a Molecular Component
journal, May 2011

  • Canongia Lopes, J. N.; Costa Gomes, Margarida F.; Husson, Pascale
  • The Journal of Physical Chemistry B, Vol. 115, Issue 19
  • DOI: 10.1021/jp2012254
    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: