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Anionic NbO-type copper organic framework decorated with carboxylate groups for light hydrocarbons separation under ambient conditions

Light hydrocarbons are important raw materials for industrial products and fine chemicals. The storage and separation of C 1 –C 3 hydrocarbons are vital to their practical use. Here, we report efficient C 1 –C 3 hydrocarbon adsorption and separation with a NbO-type anionic copper metal–organic frame...

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Published in:Journal of materials science 2018-06, Vol.53 (12), p.8866-8877
Main Authors: Liu, Xiuping, Li, Xue, Li, Jing, Li, Guixia, Guo, Sheng, Zhu, Houyu, Zhao, Lianming, Hao, Chunlian, Guo, Wenyue
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container_issue 12
container_start_page 8866
container_title Journal of materials science
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creator Liu, Xiuping
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Guo, Wenyue
description Light hydrocarbons are important raw materials for industrial products and fine chemicals. The storage and separation of C 1 –C 3 hydrocarbons are vital to their practical use. Here, we report efficient C 1 –C 3 hydrocarbon adsorption and separation with a NbO-type anionic copper metal–organic framework with uncoordinated –COO − groups ([Cu 2 ( L )·(H 2 O) 2 ]·2H 2 O·3DMA·(CH 3 ) 2 NH 2 ) ( 1 ). Complex 1 exhibited large C 2 H 2 (190 cm 3 g −1 ), C 2 H 4 (147 cm 3 g −1 ), C 2 H 6 (156 cm 3 g −1 ), C 3 H 6 (170 cm 3 g −1 ), and C 3 H 8 (173 cm 3 g −1 ) uptakes and high selectivities for C 2 H 2 /CH 4 (32.3), C 3 H 6 /CH 4 (152), and C 3 H 8 /CH 4 (127) under ambient conditions. The excellent cycling performance of the material was reflected by only 9.2 and 10.9% losses of the C 2 H 2 and C 3 H 6 storage capacities even after ten cycles of adsorption–desorption tests. First-principles calculations and Grand canonical Monte Carlo simulations further revealed that not only the open metal sites but also the –COO − groups played a key role in the high C 2 –C 3 hydrocarbon uptakes. The results obtained in this study suggest that anionic 1 is a promising candidate for light hydrocarbon adsorption and natural gas purification at room temperature.
doi_str_mv 10.1007/s10853-018-2155-1
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The storage and separation of C 1 –C 3 hydrocarbons are vital to their practical use. Here, we report efficient C 1 –C 3 hydrocarbon adsorption and separation with a NbO-type anionic copper metal–organic framework with uncoordinated –COO − groups ([Cu 2 ( L )·(H 2 O) 2 ]·2H 2 O·3DMA·(CH 3 ) 2 NH 2 ) ( 1 ). Complex 1 exhibited large C 2 H 2 (190 cm 3 g −1 ), C 2 H 4 (147 cm 3 g −1 ), C 2 H 6 (156 cm 3 g −1 ), C 3 H 6 (170 cm 3 g −1 ), and C 3 H 8 (173 cm 3 g −1 ) uptakes and high selectivities for C 2 H 2 /CH 4 (32.3), C 3 H 6 /CH 4 (152), and C 3 H 8 /CH 4 (127) under ambient conditions. The excellent cycling performance of the material was reflected by only 9.2 and 10.9% losses of the C 2 H 2 and C 3 H 6 storage capacities even after ten cycles of adsorption–desorption tests. First-principles calculations and Grand canonical Monte Carlo simulations further revealed that not only the open metal sites but also the –COO − groups played a key role in the high C 2 –C 3 hydrocarbon uptakes. 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First-principles calculations and Grand canonical Monte Carlo simulations further revealed that not only the open metal sites but also the –COO − groups played a key role in the high C 2 –C 3 hydrocarbon uptakes. 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source Springer Nature
subjects Adsorption
Characterization and Evaluation of Materials
Chemical Routes to Materials
Chemistry and Materials Science
Classical Mechanics
Computer simulation
Copper
Crystallography and Scattering Methods
Fine chemicals
First principles
Hydrocarbons
Materials Science
Metal-organic frameworks
Methane
Monte Carlo methods
Natural gas
Niobium oxides
Organic chemistry
Polymer Sciences
Raw materials
Separation
Solid Mechanics
Surface active agents
title Anionic NbO-type copper organic framework decorated with carboxylate groups for light hydrocarbons separation under ambient conditions
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