RT info:eu-repo/semantics/article
T1 A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2 capture via experimental and molecular simulation approaches
A1 Ullah, Ruh .
A1 Atilhan, Mert
A1 Anaya, Baraa
A1 Khraisheh, Majeda
A1 García Moreno, Gregorio J.
A1 ElKhattat, Ahmed
A1 Tariqa, Mohammad
A1 Aparicio Martínez, Santiago
K1 Chemistry, Physical and theoretical
K1 Química física
AB Choline chloride + levulinic acid deep eutectic solvent is studied as a suitable material for CO2 capturing purposes. The most relevant physicochemical properties of this solvent are reported together with the CO2 solubility as a function of temperature. The corrosivity of this solvent is studied showing better performance than amine-based solvents. A theoretical study using both density functional theory and molecular dynamics approaches is carried out to analyze the properties of this fluid from the nanoscopic viewpoint, and their relationship with the macroscopic behavior of the system and its ability for CO2 capturing. The behavior of the liquid–gas interface is also studied and its role on the CO2 absorption mechanism is analyzed. The reported combined experimental and theoretical approach leads to a complete picture of the behavior of this new sorbent with regard to CO2, which together with its low cost, and the suitable environmental and toxicological properties of this solvent, lead to a promising candidate for CO2 capturing technological applications
PB Royal Society of Chemistry
YR 2015
FD 2015-08
LK http://hdl.handle.net/10259/4335
UL http://hdl.handle.net/10259/4335
LA eng
NO Ministerio de Economı´a y Competitividad (Spain, projectCTQ2013-40476-R) and Junta de Castilla y Leo´n (Spain, projectBU324U14
DS Repositorio Institucional de la Universidad de Burgos
RD 23-nov-2024