Adsorption CO2, CH4 and N2 on two different spacing flexible layer MOFs

Yu, Qiuhong; Zhao, Qiang; Liang, Jianming; Dong, Jinxiang; Li, Jinping

doi:10.1016/j.micromeso.2012.01.008

Cited by 39 publications

(41 citation statements)

References 29 publications

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“…That is because the stronger intermolecular interactions between guest molecules and flexible MOFs lead to a lower gate‐opening pressure. At lower temperatures, the thermal motion of gases is slower, so that the gas molecules can get adsorbed on the flexible MOFs more easily, thereby causing a lower gate‐opening pressure , , …”

Section: Resultsmentioning

confidence: 99%

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Krishna

Wang

et al. 2016

Eur J Inorg Chem

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Adsorptive separation of acetylene from ethylene/ acetylene mixtures is a technologically very important and highly challenging task. In this work, we describe two flexible metal-organic frameworks (MOFs), ELM-11 and ELM-13, that display adsorbate discriminatory gate effects. The two MOFs exhibit gate-opening-type adsorption properties for C 2 H 2 but not for C 2 H 4 , leading to a highly selective adsorption of acetylene over ethylene at 273-298 K. The potential of the flexible [a] College Characterization: The crystallinities and phase purities of the samples were measured by PXRD with a Rigaku Mini Flex II X-ray diffractometer, employing Cu-K α radiation operated at 30 kV and 15 mA, scanning over the range 5-40°(2θ) at a rate of 1°min -1 . SEM images and SEM-EDS analyses were obtained with a Hitachi SU8010 scanning electron microscope operated at 10 kV. FTIR spectroscopy was performed with an IRAffinity-1 (SHIMADZU) spectrometer. Key Projects (No. 2014CB260402).

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Section: Resultsmentioning

confidence: 99%

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Krishna

Wang

et al. 2016

Eur J Inorg Chem

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“…Therefore, the goal of development and design of adsorbents focuses on the high CH 4 adsorption capacity, desired selectivities and excellent regeneration properties. In the literature, several available adsorbents such as carbon-base materials, 2-4 silica gels, 5 zeolites, [6][7][8][9] metal organic frameworks (MOFs) [10][11][12][13][14][15] and covalent organic frameworks(COFs) 16 have been prepared and applied into the separation of CH 4 /N 2 . Among these adsorbent materials, MOFs, as a relatively new class of inorganic and organic hybrid porous materials, are constructed by coordination chemistry of metal ion clusters and organic linkers.…”

Section: Introductionmentioning

confidence: 99%

Separation of CH₄/N₂mixtures in metal–organic frameworks with 1D micro-channels

Sun

Liu

et al. 2016

RSC Adv.

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This work aims to study the features of CH4 and N2 adsorption inside 1D micro-channels and develop the best suitable MOF candidates for the adsorptive separation of CH4 against N2. For this purpose, four MOFs ([Ni3(HCOO)6], [Cu(INA)2], Al-BDC and Ni-MOF-74) with similar network topology and single 1D micro-channel have been systematically investigated via structure characterization and selective gas adsorption and separation. The selected MOFs are classified into three groups. Thereinto, Ni-MOF-74, with coordinatively unsaturated metal sites, is considered as strong polar adsorbent, whilst Al-BDC is treated as moderate polar adsorbent owing to the polar linkers. However, [Ni3(HCOO)6] and [Cu(INA)2] are regarded as apolar (weak polarity) adsorbents because of lack of any polar functional groups inside the frameworks. The adsorption potential of CH4 follows the trend Ni-MOF-74 > [Ni3(HCOO)6]> [Cu(INA)2] > Al-BDC, while Ni-MOF-74 > Al-BDC > [Ni3(HCOO)6] > [Cu(INA)2] for the potential of N2. This implies that pore size and electrostatic interactions have different contributions to the CH4 or N2-MOFs interactions, resulting in excellent CH4/N2 selectivity more than 6 on [Ni3(HCOO)6] and [Cu(INA)2].

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“…In the case of our models with the structural parameters discussed in this section, a monolayer is only formed between the solid layers at P/P 0 < 1, but more than two adsorbed layers should be inserted when larger chemical potential is imposed on the system. Actually, the real stacked-layer PCP, ELM-11, shows first gating transition by CO 2 adsorption at 0.2-0.3 bar and 273 K, followed by second gating transition at 6-9 bar, 72 though the structure of the adsorbed CO 2 in ELM-11 is somewhat different from that in our simple pore model.…”

Section: Parameter Sets For One-step Gating Behaviormentioning

confidence: 61%

Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers

Numaguchi

Tanaka

Watanabe

et al. 2014

The Journal of Chemical Physics

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Porous coordination polymers (PCPs) with soft frameworks show a gate phenomenon consisting of an abrupt structural transition induced by adsorption of guest molecules. To understand the dependence of the gating behavior on the host framework structure, we conduct grand canonical Monte Carlo simulations and a free-energy analysis of a simplified model of a stacked-layer PCP. The interlayer width of the rigid layers composing the simplified model can be changed by guest adsorption and by varying the initial interlayer width h0, which is controlled by the length of pillars between the layers. We introduce three types of gating behavior, one-step gating, filling and gating, and double gating, which depend on three parameters: the initial interlayer width h0; the interaction parameter ɛss, which determines the host-guest framework interaction as well as the inter-framework interaction; and the elastic modulus of the framework, which depends on the stiffness of the pillars. We show that the one-step gating and the filling and gating behaviors depend strongly on h0 rather than on ɛss, and thus a transformation from filling and gating to double gating can be achieved by reducing the stiffness of the host framework. This study should be a guideline for controlling the gating pressure of PCPs by modifying their chemical components.

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Adsorption CO2, CH4 and N2 on two different spacing flexible layer MOFs

Cited by 39 publications

References 29 publications

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Separation of CH₄/N₂mixtures in metal–organic frameworks with 1D micro-channels

Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers

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Adsorption CO2, CH4 and N2 on two different spacing flexible layer MOFs

Cited by 39 publications

References 29 publications

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Flexible Metal–Organic Frameworks with Discriminatory Gate‐Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

Separation of CH4/N2mixtures in metal–organic frameworks with 1D micro-channels

Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers

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Separation of CH₄/N₂mixtures in metal–organic frameworks with 1D micro-channels