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AuthorUllah, R.
AuthorAtilhan, M.
AuthorAnaya, B.
AuthorKhraisheh, Majeda
AuthorGarcia, G.
AuthorElkhattat, A.
AuthorTariq, M.
AuthorAparicio, S.
Available date2022-05-21T08:36:53Z
Publication Date2015
Publication NamePhysical Chemistry Chemical Physics
ResourceScopus
Identifierhttp://dx.doi.org/10.1039/c5cp03364k
URIhttp://hdl.handle.net/10576/31215
AbstractCholine chloride + levulinic acid deep eutectic solvent is studied as a suitable material for CO2capturing purposes. The most relevant physicochemical properties of this solvent are reported together with the CO2solubility 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 CO2capturing. The behavior of the liquid-gas interface is also studied and its role on the CO2absorption 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 CO2capturing technological applications.
Languageen
PublisherRoyal Society of Chemistry
TitleA detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2capture via experimental and molecular simulation approaches
TypeArticle
Pagination20941-20960
Issue Number32
Volume Number17
dc.accessType Abstract Only


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