Improving olefin purification using metal organic frameworks with open metal sites

A. Luna-Triguero; J. M. Vicent-Luna; A. Poursaeidesfahani; T. J.H. Vlugt; R. Sánchez-De-Armas; P. Gómez-Álvarez; S. Calero

doi:10.1021/acsami.8b04106

Improving olefin purification using metal organic frameworks with open metal sites

A. Luna-Triguero, J. M. Vicent-Luna, A. Poursaeidesfahani, T. J.H. Vlugt, R. Sánchez-De-Armas, P. Gómez-Álvarez^*, S. Calero

^*Corresponding author for this work

Engineering Thermodynamics

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Abstract

The separation and purification of light hydrocarbons is challenging in the industry. Recently, a ZJNU-30 metal-organic framework (MOF) has been found to have the potential for adsorption-based separation of olefins and diolefins with four carbon atoms [H. M. Liu et al. Chem. - Eur. J. 2016, 22, 14988-14997]. Our study corroborates this finding but reveals Fe-MOF-74 as a more efficient candidate for the separation because of the open metal sites. We performed adsorption-based separation, transient breakthrough curves, and density functional theory calculations. This combination of techniques provides an extensive understanding of the studied system. Using this MOF, we propose a separation scheme to obtain a high-purity product.

Original language	English
Pages (from-to)	16911-16917
Journal	ACS Applied Materials and Interfaces
Volume	10
Issue number	19
DOIs	https://doi.org/10.1021/acsami.8b04106
Publication status	Published - 2018

Bibliographical note

Accepted Author Manuscript

Keywords

breakthrough curves
butene isomers
coordinatively unsaturated sites
molecular simulation
separation process

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10.1021/acsami.8b04106

paper2 (002)Accepted author manuscript, 587 KB

Cite this

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title = "Improving olefin purification using metal organic frameworks with open metal sites",

abstract = "The separation and purification of light hydrocarbons is challenging in the industry. Recently, a ZJNU-30 metal-organic framework (MOF) has been found to have the potential for adsorption-based separation of olefins and diolefins with four carbon atoms [H. M. Liu et al. Chem. - Eur. J. 2016, 22, 14988-14997]. Our study corroborates this finding but reveals Fe-MOF-74 as a more efficient candidate for the separation because of the open metal sites. We performed adsorption-based separation, transient breakthrough curves, and density functional theory calculations. This combination of techniques provides an extensive understanding of the studied system. Using this MOF, we propose a separation scheme to obtain a high-purity product.",

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AU - Luna-Triguero, A.

AU - Vicent-Luna, J. M.

AU - Poursaeidesfahani, A.

AU - Vlugt, T. J.H.

AU - Sánchez-De-Armas, R.

AU - Gómez-Álvarez, P.

AU - Calero, S.

N1 - Accepted Author Manuscript

PY - 2018

Y1 - 2018

N2 - The separation and purification of light hydrocarbons is challenging in the industry. Recently, a ZJNU-30 metal-organic framework (MOF) has been found to have the potential for adsorption-based separation of olefins and diolefins with four carbon atoms [H. M. Liu et al. Chem. - Eur. J. 2016, 22, 14988-14997]. Our study corroborates this finding but reveals Fe-MOF-74 as a more efficient candidate for the separation because of the open metal sites. We performed adsorption-based separation, transient breakthrough curves, and density functional theory calculations. This combination of techniques provides an extensive understanding of the studied system. Using this MOF, we propose a separation scheme to obtain a high-purity product.

AB - The separation and purification of light hydrocarbons is challenging in the industry. Recently, a ZJNU-30 metal-organic framework (MOF) has been found to have the potential for adsorption-based separation of olefins and diolefins with four carbon atoms [H. M. Liu et al. Chem. - Eur. J. 2016, 22, 14988-14997]. Our study corroborates this finding but reveals Fe-MOF-74 as a more efficient candidate for the separation because of the open metal sites. We performed adsorption-based separation, transient breakthrough curves, and density functional theory calculations. This combination of techniques provides an extensive understanding of the studied system. Using this MOF, we propose a separation scheme to obtain a high-purity product.

KW - breakthrough curves

KW - butene isomers

KW - coordinatively unsaturated sites

KW - molecular simulation

KW - separation process

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ER -

Improving olefin purification using metal organic frameworks with open metal sites

Abstract

Bibliographical note

Keywords

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