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Ionic Liquids for CO2 Capture: Physical vs. Chemical Absorption.

Grant number: 13/23234-7
Support Opportunities:Scholarships in Brazil - Doctorate
Effective date (Start): March 01, 2014
Effective date (End): July 31, 2017
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
Principal Investigator:Rômulo Augusto Ando
Grantee:Luiz Fernando Lepre
Host Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Associated research grant:12/13119-3 - Vibrational spectroscopy in condensed phases, AP.TEM
Associated scholarship(s):15/07145-0 - Ionic liquids for carbon dioxide capture, BE.EP.DR


Among the several strategies that have been proposed for CO2 capture, one of the most promising approaches is the use of ionic liquids, which consist of systems entirely composed of ions, but with low melting points (<100oC). Beyond the fact that such liquids possess negligible vapor pressures, their main advantage is the possibility to tune properties accordingly to a specific application. In particular, their utilization in the CO2 capture has two main approaches, the physical and the chemical absorption. The former explores the CO2 selectivity over other gases, whereas the latter comprises the functionalization of cations and/or anions with groups that react with CO2. However, in some cases, as in imidazolic ionic liquids formed by acetate anions, the presence of CO2 induces the formation of carbenes, promoting the chemical absorption. In such cases, the gas capture depends on the subtle balance between the physisorption and chemisorption. This project aims to evaluate the main factors that govern both processes, in order to understand how the presence of neutral molecules, as CO2, induces the formation of reactive species as carbenes. To accomplish that, it will be performed solubility measurements as function of pressure and temperature in several ionic liquids, what allows the determination of the thermodynamic parameters of absorption. The processes of physisorption and chemisorption will be characterized by spectroscopic measurements (Raman, IR and NMR), as well as physical properties measurements (density, viscosity and diffusion coefficients), whose results will be supported by theoretical calculations (DFT and MD).

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Scientific publications (8)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
LEPRE, L. F.; PISON, L.; SIQUEIRA, L. J. A.; ANDO, R. A.; GOMES, M. F. COSTA. Improvement of carbon dioxide absorption by mixing poly(ethylene glycol) dimethyl ether with ammonium-based ionic liquids. Separation and Purification Technology, v. 196, n. SI, p. 10-19, . (13/23234-7, 12/13119-3, 15/07145-0, 11/22263-8)
LEPRE, LUIZ FERNANDO; COSTA GOMES, MARGARIDA; ANDO, ROMULO AUGUSTO. Probing the Reorganization of Ionic Liquids' Structure Induced by CO2 Sorption. ChemPhysChem, v. 21, n. 12, . (16/21070-5, 13/23234-7, 15/07145-0)
HOHER, KARINA; CARDOSO, PIERCARLO F.; LEPRE, LUIZ F.; ANDO, ROMULO A.; SIQUEIRA, LEONARDO J. A.. Molecular dynamics and a spectroscopic study of sulfur dioxide absorption by an ionic liquid and its mixtures with PEO. Physical Chemistry Chemical Physics, v. 18, n. 41, p. 28901-28910, . (13/23234-7, 12/13119-3, 11/22263-8)
LEPRE, L. F.; SZALA-BILNIK, J.; PISON, L.; TRAIKIA, M.; PADUA, A. A. H.; ANDO, R. A.; GOMES, M. F. COSTA. Can the tricyanomethanide anion improve CO2 absorption by acetate-based ionic liquids?. Physical Chemistry Chemical Physics, v. 19, n. 19, p. 12431-12440, . (13/23234-7, 15/07145-0)
LEPRE, L. F.; PISON, L.; SIQUEIRA, L. J. A.; ANDO, R. A.; GOMES, M. F. COSTA. Improvement of carbon dioxide absorption by mixing poly(ethylene glycol) dimethyl ether with ammonium-based ionic liquids. Separation and Purification Technology, v. 196, p. 10-pg., . (13/23234-7, 12/13119-3, 15/07145-0, 11/22263-8)
OTERO, I.; LEPRE, L. F.; DEQUIDT, A.; HUSSON, P.; COSTA GOMES, M. F.. How Does the Addition of a Third Ion Affect the Molecular Interactions and the Thermodynamic Properties of Acetate-Based Ionic Liquids?. Journal of Physical Chemistry B, v. 121, n. 41, p. 9725-9736, . (13/23234-7, 15/07145-0)
LEPRE, L. F.; SZALA-BILNIK, J.; PADUA, A. A. H.; TRAIKIA, M.; ANDO, R. A.; GOMES, M. F. COSTA. Tailoring the properties of acetate-based ionic liquids using the tricyanomethanide anion. Physical Chemistry Chemical Physics, v. 18, n. 33, p. 23285-23295, . (13/23234-7, 15/07145-0)
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
LEPRE, Luiz Fernando. CO2 absorption by ionic liquids: a thermodynamic and spectroscopic approach.. 2017. Doctoral Thesis - Universidade de São Paulo (USP). Conjunto das Químicas (IQ e FCF) (CQ/DBDCQ) São Paulo.

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