Design and Evaluation of Ionic Liquids as Novel CO2 Absorbents

Maginn, Edward J.

University of Notre Dame

关键词: Amines;    Carbon Dioxide;    Lactates;    Molecular Models;    Solubility;   

DOI  :  10.2172/895858
RP-ID  :  None
RP-ID  :  FG26-04NT42122
RP-ID  :  895858

美国|英语

来源: UNT Digital Library

【 摘 要 】

Progress from the third quarter 2006 activity on the project ''Design and Evaluation of Ionic Liquids as Novel CO{sub 2} Absorbents'' is provided. Major activities in two areas are reported: property measurement and molecular modeling. We have measured CO{sub 2} solubility in an ammonium lactate ionic liquid. Previous work has shown that the lactate anion enables chemical complexation to occur. We hypothesized that the lactate anion would not be as effective in complexing when paired with an ammonium cation as compared to when it is paired with an imidazolium cation. The results confirm this. We also measured CO{sub 2} solubility in a functionalized ionic liquid containing an amine group. These so-called task specific ionic liquids (TSILs) are expected to have dramatically higher CO{sub 2} solubility than physical absorbents. We report isotherms as well as entropies and enthalpies of absorption for CO{sub 2} in one TSIL. CO{sub 2} solubilities are higher in this compound than in any previous IL we have observed. Finally, we also developed a new simulation method that will enable us to compute full isotherms of gases in ionic liquids. So far, we have tested the method against model systems and found it to be highly effective.