Title : ( Removal of Carbon Dioxide by Phosphonium-Based Amino Acid Ionic Liquids: Molecular Dynamics Simulation )
Authors: Kobra Tajiaghayeh , Fatemeh Moosavi ,
Full TextAbstract
Molecular dynamics simulation was performed to capture CO2 by using non-toxic solvents. Tetrabutylphosphonium cation coupled with glycinate amino acid anion was simulated in order to compare the functionalization effect on gas capturing. The results demonstrated that functionalized ionic liquid with carboxylic group is the most favored ionic liquid and its interaction with CO2 is due to the anion.
Keywords
, Molecular Dynamics Simulation; Carbon Dioxide Capture; Phosphonium, based Ionic Liquids; Radial Distribution Function
@inproceedings{paperid:1089067,
author = {Tajiaghayeh, Kobra and Moosavi, Fatemeh},
title = {Removal of Carbon Dioxide by Phosphonium-Based Amino Acid Ionic Liquids: Molecular Dynamics Simulation},
booktitle = {یست و سومین کنفرانس شیمی فیزیک},
year = {2022},
location = {کرمان, IRAN},
keywords = {Molecular Dynamics Simulation; Carbon Dioxide Capture; Phosphonium-based Ionic Liquids; Radial Distribution Function},
}
%0 Conference Proceedings
%T Removal of Carbon Dioxide by Phosphonium-Based Amino Acid Ionic Liquids: Molecular Dynamics Simulation
%A Tajiaghayeh, Kobra
%A Moosavi, Fatemeh
%J یست و سومین کنفرانس شیمی فیزیک
%D 2022
