Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab Initio DFT Calculations, Molecular Simulation and Equation of State Predictions

Ioannis Economou; E. K. Karakatsani; G. -E. Logotheti; J. Ramos; A. Vanin

doi:10.2516/ogst:2008007

Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab Initio DFT Calculations, Molecular Simulation and Equation of State Predictions

Ioannis Economou, E. K. Karakatsani, G. -E. Logotheti, J. Ramos, A. Vanin

Research output: Contribution to journal › Journal article › Research › peer-review

Original language	English
Journal	Oil & Gas Science & Technology
Volume	63
Issue number	3
Pages (from-to)	283
ISSN	1294-4475
DOIs	https://doi.org/10.2516/ogst:2008007
Publication status	Published - 2008

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title = "Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab Initio DFT Calculations, Molecular Simulation and Equation of State Predictions",

author = "Ioannis Economou and Karakatsani, {E. K.} and Logotheti, {G. -E.} and J. Ramos and A. Vanin",

year = "2008",

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journal = "Oil & Gas Science & Technology",

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Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab Initio DFT Calculations, Molecular Simulation and Equation of State Predictions. / Economou, Ioannis; Karakatsani, E. K.; Logotheti, G. -E. et al.
In: Oil & Gas Science & Technology, Vol. 63, No. 3, 2008, p. 283.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab Initio DFT Calculations, Molecular Simulation and Equation of State Predictions

AU - Economou, Ioannis

AU - Karakatsani, E. K.

AU - Logotheti, G. -E.

AU - Ramos, J.

AU - Vanin, A.

PY - 2008

Y1 - 2008

U2 - 10.2516/ogst:2008007

DO - 10.2516/ogst:2008007

M3 - Journal article

SN - 1294-4475

VL - 63

SP - 283

JO - Oil & Gas Science & Technology

JF - Oil & Gas Science & Technology

IS - 3

ER -