Assessment of DFT methods for studying acid gas capture by ionic liquids-Reference-Cited by-同舟云学术

Assessment of DFT methods for studying acid gas capture by ionic liquids

Published:2015 Issue:40 Volume:17 Page:26875-26891
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

García Gregorio¹²³⁴,Atilhan Mert⁵⁶⁷⁸,Aparicio Santiago¹²³⁴

Affiliation:

1. Department of Chemistry

2. University of Burgos

3. 09001 Burgos

4. Spain

5. Department of Chemical Engineering

6. Qatar University

7. Doha

8. Qatar

Abstract

For the first time, this work reports an analysis of the performance of Density Functional methods for studying acid gas capture (CO₂ and SO₂) by ionic liquids (ILs).

Funder

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP04283F

Reference89 articles.

1. Applications of ionic liquids in the chemical industry

2. Ether- and alcohol-functionalized task-specific ionic liquids: attractive properties and applications

3. Thermophysical Properties of Pure Ionic Liquids: Review of Present Situation

4. Review on the Use of Ionic Liquids (ILs) as Alternative Fluids for CO2Capture and Natural Gas Sweetening

5. What Are Functional Ionic Liquids for the Absorption of Acidic Gases?

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