Molecular simulation study of interactions of carbon dioxide and water with ionic liquids

Johnny Deschamps; Margarida F. Costa Gomes; Agílio A.H. Pádua

doi:10.1002/cphc.200400097

Molecular simulation study of interactions of carbon dioxide and water with ionic liquids

Johnny Deschamps
, Margarida F. Costa Gomes
, Agílio A.H. Pádua

Clermont-Auvergne University

Research output: Contribution to journal › Article › peer-review

101 Citations (Scopus)

Abstract

Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.

Original language	English
Pages (from-to)	1049-1052
Number of pages	4
Journal	ChemPhysChem
Volume	5
Issue number	7
DOIs	https://doi.org/10.1002/cphc.200400097
Publication status	Published - 19 Jul 2004
Externally published	Yes

Keywords

Carbon dioxide
Ionic liquids
Molecular simulation
Solvent effects
Water

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10.1002/cphc.200400097

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title = "Molecular simulation study of interactions of carbon dioxide and water with ionic liquids",

abstract = "Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.",

keywords = "Carbon dioxide, Ionic liquids, Molecular simulation, Solvent effects, Water",

author = "Johnny Deschamps and \{Costa Gomes\}, \{Margarida F.\} and P{\'a}dua, \{Ag{\'i}lio A.H.\}",

year = "2004",

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doi = "10.1002/cphc.200400097",

language = "English",

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journal = "ChemPhysChem",

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AU - Deschamps, Johnny

AU - Costa Gomes, Margarida F.

AU - Pádua, Agílio A.H.

PY - 2004/7/19

Y1 - 2004/7/19

N2 - Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.

AB - Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.

KW - Carbon dioxide

KW - Ionic liquids

KW - Molecular simulation

KW - Solvent effects

KW - Water

U2 - 10.1002/cphc.200400097

DO - 10.1002/cphc.200400097

M3 - Article

AN - SCOPUS:3442891789

SN - 1439-4235

VL - 5

SP - 1049

EP - 1052

JO - ChemPhysChem

JF - ChemPhysChem

IS - 7

ER -

Molecular simulation study of interactions of carbon dioxide and water with ionic liquids

Abstract

Keywords

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