Issue 38, 2012

First-principles-guided design of ionic liquids for CO2 capture

Abstract

The identification of sorbents that combine selectively and reversibly with CO2 is essential for efficient and economical abatement of ever-increasing CO2 emissions. Room temperature ionic liquids (ILs) are a promising class of potential absorbents, especially when modified to chemically combine with CO2. In this perspective we describe the evolution of IL-based CO2 capture chemistries over the last ten years and in particular the important role that first principles simulations have played in helping guide those developments. Current anion-functionalized ILs achieve high CO2 capture efficiencies tailorable to a wide range of separation conditions and avoid the viscosity problems that plagued the earliest amine-functionalized, CO2-reactive ILs. Further progress is needed to develop ILs able to meet all the requirements of a CO2 separation system, and simulations will play a central role in those developments.

Graphical abstract: First-principles-guided design of ionic liquids for CO2 capture

Supplementary files

Article information

Article type
Perspective
Submitted
30 May 2012
Accepted
30 Jul 2012
First published
31 Jul 2012

Phys. Chem. Chem. Phys., 2012,14, 13163-13170

First-principles-guided design of ionic liquids for CO2 capture

C. Wu, T. P. Senftle and W. F. Schneider, Phys. Chem. Chem. Phys., 2012, 14, 13163 DOI: 10.1039/C2CP41769C

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