Metal-Organic frameworks (MOFs) and porous molecular materials represent a new platform for achieving and exploring high-performance sorptive properties and gas transport. The key lies in the modular nature of these materials, which allows for tuning and functionalization towards improved gas capture. Self-assembly of polyfunctional molecules containing multiple charges, namely, tetrahedral tetra-sulfonate anions and bifunctional linear cations, resulted in a permanently porous crystalline material in which the channels are decorated by double helices of electrostatic charges that governed the association and transport of CO2 molecules.[1] An isoreticular series of Fe-MOFs with varying decoration of fluorine atoms within their channel walls as a method for modulating the CO2 adsorption properties.[2] In these systems we studied the guest recognition within the porous materials in relation to the structural moieties and modulation. A host of complementary experimental and computational techniques gives a holistic view of the host-CO2 properties towards the potential selective removal of CO2 from other gases. GCMC and DFT were employed for a detailed description of the CO2 diffusion and interactions in the porous materials. CO2–matrix adsorption enthalpies was accurately measured in-situ by simultaneous acquisition of microcalorimetric and volumetric-isotherm data. Accurate adsorption heats are very importation for sorption-based applications and devices, thus highlighting the importance of direct measurement of the adsorption heat. This also serves a way to benchmark the mathematical models and protocols for adsorption heats derived from sorption isotherms. References 1. Xing, G.; Bassanetti, I.; Bracco, S.; Negroni, M.; Bezuidenhout, C.; Ben, T.; Sozzani, P.; Comotti, A., Chemical Science 2019, 10 (3), 730-736. 2. Perego, J.; Bezuidenhout, C. X.; Pedrini, A.; Bracco, S.; Negroni, M.; Comotti, A.; Sozzani, P., Journal of Materials Chemistry A 2020, 8 (22), 11406-11413.
Bezuidenhout, C., Perego, J., Pedrini, A., Xing, G., Bassanetti, I., Bracco, S., et al. (2021). Porous materials towards CO2 capture and direct calorimetric measurement of adsorption heat. In Book of Abstracts.
Porous materials towards CO2 capture and direct calorimetric measurement of adsorption heat
Perego JMembro del Collaboration Group
;Pedrini AMembro del Collaboration Group
;Bassanetti IMembro del Collaboration Group
;Bracco SMembro del Collaboration Group
;Negroni MMembro del Collaboration Group
;Sozzani PMembro del Collaboration Group
;Comotti A.Membro del Collaboration Group
2021
Abstract
Metal-Organic frameworks (MOFs) and porous molecular materials represent a new platform for achieving and exploring high-performance sorptive properties and gas transport. The key lies in the modular nature of these materials, which allows for tuning and functionalization towards improved gas capture. Self-assembly of polyfunctional molecules containing multiple charges, namely, tetrahedral tetra-sulfonate anions and bifunctional linear cations, resulted in a permanently porous crystalline material in which the channels are decorated by double helices of electrostatic charges that governed the association and transport of CO2 molecules.[1] An isoreticular series of Fe-MOFs with varying decoration of fluorine atoms within their channel walls as a method for modulating the CO2 adsorption properties.[2] In these systems we studied the guest recognition within the porous materials in relation to the structural moieties and modulation. A host of complementary experimental and computational techniques gives a holistic view of the host-CO2 properties towards the potential selective removal of CO2 from other gases. GCMC and DFT were employed for a detailed description of the CO2 diffusion and interactions in the porous materials. CO2–matrix adsorption enthalpies was accurately measured in-situ by simultaneous acquisition of microcalorimetric and volumetric-isotherm data. Accurate adsorption heats are very importation for sorption-based applications and devices, thus highlighting the importance of direct measurement of the adsorption heat. This also serves a way to benchmark the mathematical models and protocols for adsorption heats derived from sorption isotherms. References 1. Xing, G.; Bassanetti, I.; Bracco, S.; Negroni, M.; Bezuidenhout, C.; Ben, T.; Sozzani, P.; Comotti, A., Chemical Science 2019, 10 (3), 730-736. 2. Perego, J.; Bezuidenhout, C. X.; Pedrini, A.; Bracco, S.; Negroni, M.; Comotti, A.; Sozzani, P., Journal of Materials Chemistry A 2020, 8 (22), 11406-11413.
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