Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption

Harry Godfrey; Lydia Briggs; Xue Han; Will Trenholme; Christopher Morris; Mathew Savage; Louis Kimberley; Oxana Magdysyuk; Michael  Drakopoulous; Claire A.  Murray; Chiu C Tang; Mark D.  Frogley; Gianfelice Cinque; Sihai Yang; Martin Schroder

doi:10.1063/1.5121644

Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption

Harry Godfrey, Lydia Briggs, Xue Han, Will Trenholme, Christopher Morris, Mathew Savage, Louis Kimberley, Oxana Magdysyuk, Michael Drakopoulous, Claire A. Murray, Chiu C Tang, Mark D. Frogley, Gianfelice Cinque, Sihai Yang, Martin Schroder

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Abstract

Understanding the mechanism of assembly and function of metal-organic frameworks (MOFs) is important for the development of practical materials. Herein we report a time-resolved diffraction analysis of the kinetics of formation of a robust MOF, MFM-300(Fe), which shows high adsorption capacity for CO2 (9.55 mmol g-1 at 293 K and 20 bar). Applying the Avrami-Erofe’ev (AE) and the
two-step kinetic Finke-Watzky (FW) models to in situ high-energy synchrotron X-ray powder diffraction data obtained during the synthesis of MFM-300(Fe) enables determination of the overall activation energy of formation (50.9 kJ mol-1), the average energy of nucleation (56.7 kJ mol-1) and the average energy of autocatalytic growth (50.7 kJ mol-1). The synthesis of MFM-300(Fe) has been
scaled up by a 1000-fold, enabling the successful breakthrough separations of the CO2/N2 mixture in a packed-bed with a selectivity for CO2/N2 of 21.6. This study gives an overall understanding for the intrinsic behaviours of this MOF system, and we have determined directly the binding domains and dynamics for adsorbed CO2 molecules within the pores of MFM-300(Fe).

Original language	English
Journal	APL Materials
Volume	7
Issue number	11
Early online date	7 Nov 2019
DOIs	https://doi.org/10.1063/1.5121644
Publication status	Published - 7 Nov 2019

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Godfrey, H., Briggs, L., Han, X., Trenholme, W., Morris, C., Savage, M., Kimberley, L., Magdysyuk, O., Drakopoulous, M., Murray, C. A., Tang, C. C., Frogley, M. D., Cinque, G., Yang, S., & Schroder, M. (2019). Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption. APL Materials, 7(11). https://doi.org/10.1063/1.5121644

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title = "Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption",

abstract = "Understanding the mechanism of assembly and function of metal-organic frameworks (MOFs) is important for the development of practical materials. Herein we report a time-resolved diffraction analysis of the kinetics of formation of a robust MOF, MFM-300(Fe), which shows high adsorption capacity for CO2 (9.55 mmol g-1 at 293 K and 20 bar). Applying the Avrami-Erofe{\textquoteright}ev (AE) and the two-step kinetic Finke-Watzky (FW) models to in situ high-energy synchrotron X-ray powder diffraction data obtained during the synthesis of MFM-300(Fe) enables determination of the overall activation energy of formation (50.9 kJ mol-1), the average energy of nucleation (56.7 kJ mol-1) and the average energy of autocatalytic growth (50.7 kJ mol-1). The synthesis of MFM-300(Fe) has been scaled up by a 1000-fold, enabling the successful breakthrough separations of the CO2/N2 mixture in a packed-bed with a selectivity for CO2/N2 of 21.6. This study gives an overall understanding for the intrinsic behaviours of this MOF system, and we have determined directly the binding domains and dynamics for adsorbed CO2 molecules within the pores of MFM-300(Fe). ",

author = "Harry Godfrey and Lydia Briggs and Xue Han and Will Trenholme and Christopher Morris and Mathew Savage and Louis Kimberley and Oxana Magdysyuk and Michael Drakopoulous and Murray, {Claire A.} and Tang, {Chiu C} and Frogley, {Mark D.} and Gianfelice Cinque and Sihai Yang and Martin Schroder",

year = "2019",

month = nov,

day = "7",

doi = "10.1063/1.5121644",

language = "English",

volume = "7",

journal = "APL Materials",

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publisher = "American Institute of Physics",

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Godfrey, H, Briggs, L, Han, X, Trenholme, W, Morris, C, Savage, M, Kimberley, L, Magdysyuk, O, Drakopoulous, M, Murray, CA, Tang, CC, Frogley, MD, Cinque, G, Yang, S & Schroder, M 2019, 'Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption', APL Materials, vol. 7, no. 11. https://doi.org/10.1063/1.5121644

TY - JOUR

T1 - Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption

AU - Godfrey, Harry

AU - Briggs, Lydia

AU - Han, Xue

AU - Trenholme, Will

AU - Morris, Christopher

AU - Savage, Mathew

AU - Kimberley, Louis

AU - Magdysyuk, Oxana

AU - Drakopoulous, Michael

AU - Murray, Claire A.

AU - Tang, Chiu C

AU - Frogley, Mark D.

AU - Cinque, Gianfelice

AU - Yang, Sihai

AU - Schroder, Martin

PY - 2019/11/7

Y1 - 2019/11/7

N2 - Understanding the mechanism of assembly and function of metal-organic frameworks (MOFs) is important for the development of practical materials. Herein we report a time-resolved diffraction analysis of the kinetics of formation of a robust MOF, MFM-300(Fe), which shows high adsorption capacity for CO2 (9.55 mmol g-1 at 293 K and 20 bar). Applying the Avrami-Erofe’ev (AE) and the two-step kinetic Finke-Watzky (FW) models to in situ high-energy synchrotron X-ray powder diffraction data obtained during the synthesis of MFM-300(Fe) enables determination of the overall activation energy of formation (50.9 kJ mol-1), the average energy of nucleation (56.7 kJ mol-1) and the average energy of autocatalytic growth (50.7 kJ mol-1). The synthesis of MFM-300(Fe) has been scaled up by a 1000-fold, enabling the successful breakthrough separations of the CO2/N2 mixture in a packed-bed with a selectivity for CO2/N2 of 21.6. This study gives an overall understanding for the intrinsic behaviours of this MOF system, and we have determined directly the binding domains and dynamics for adsorbed CO2 molecules within the pores of MFM-300(Fe).

AB - Understanding the mechanism of assembly and function of metal-organic frameworks (MOFs) is important for the development of practical materials. Herein we report a time-resolved diffraction analysis of the kinetics of formation of a robust MOF, MFM-300(Fe), which shows high adsorption capacity for CO2 (9.55 mmol g-1 at 293 K and 20 bar). Applying the Avrami-Erofe’ev (AE) and the two-step kinetic Finke-Watzky (FW) models to in situ high-energy synchrotron X-ray powder diffraction data obtained during the synthesis of MFM-300(Fe) enables determination of the overall activation energy of formation (50.9 kJ mol-1), the average energy of nucleation (56.7 kJ mol-1) and the average energy of autocatalytic growth (50.7 kJ mol-1). The synthesis of MFM-300(Fe) has been scaled up by a 1000-fold, enabling the successful breakthrough separations of the CO2/N2 mixture in a packed-bed with a selectivity for CO2/N2 of 21.6. This study gives an overall understanding for the intrinsic behaviours of this MOF system, and we have determined directly the binding domains and dynamics for adsorbed CO2 molecules within the pores of MFM-300(Fe).

U2 - 10.1063/1.5121644

DO - 10.1063/1.5121644

M3 - Article

SN - 2166-532X

VL - 7

JO - APL Materials

JF - APL Materials

IS - 11

ER -

Analysis by synchrotron X-ray scattering of the kinetics of formation of an Fe-based metal-organic framework with high CO2 adsorption

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