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Pore control of Al-based MIL-53 isomorphs for the preferential capture of ethane in an ethane/ethylene mixture
Ist Teil von
Journal of materials chemistry. A, Materials for energy and sustainability, 2021-07, Vol.9 (25), p.14593-146
Ort / Verlag
Cambridge: Royal Society of Chemistry
Erscheinungsjahr
2021
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Preferential ethane adsorption from an ethane (C
2
H
6
)/ethylene (C
2
H
4
) mixture has emerged as a promising alternative to energy-intensive cryogenic distillation for obtaining high-purity ethylene. In this study, MIL-53(Al) isomorphs were prepared using various organic linkers such as 1,4-benezenedicarboxylic acid (MIL-53-BDC), 2,6-naphthalenedicarboxylic acid (MIL-53-NDCA), and 4,4′-biphenyldicarboxylic acid (MIL-53-BPDC) to investigate their C
2
H
6
/C
2
H
4
separation properties. C
2
H
6
/C
2
H
4
separation performances were rigorously investigated by combining single-component gas adsorption, ideal adsorbed solution theory calculations, breakthrough experiments, and molecular simulations (Monte Carlo simulation and density functional theory calculations). All MIL-53 isomorphs exhibited preferential uptake of C
2
H
6
in the C
2
H
6
/C
2
H
4
mixture, among which MIL-53-NDCA exhibited a reasonably good C
2
H
6
/C
2
H
4
selectivity (1.53) and the largest C
2
H
6
uptake (4.24 mmol g
−1
) at 298 K and 1 bar. Molecular simulations revealed that the good C
2
H
6
/C
2
H
4
separation performance can be attributed to efficient C-H π interactions between C
2
H
6
and the NDCA linker (Site I) and suppressed olefinic π OH interactions between C
2
H
4
and μ
2
-OH groups (Site II). In the breakthrough experiment using MIL-53-NDCA, a binary mixture of C
2
H
6
/C
2
H
4
(50/50 v/v) was separated into high-purity ethylene (>99.95%) with ethylene productivity of 11.2 L
STP
kg
−1
at 298 K.
Energy-efficient separation of ethane (C
2
H
6
)/ethylene (C
2
H
4
) was achieved
via
preferential adsorption of ethane with the rationally designed MIL-53 isomorph.