Adsorption and diffusion of carbon dioxide on the metal-organic framework CuBTB

Mitchell R. Armstrong; Bohan Shan; Zhenfei Cheng; Dingke Wang; Jichang Liu; Bin Mu

doi:10.1016/j.ces.2017.03.049

Adsorption and diffusion of carbon dioxide on the metal-organic framework CuBTB

Mitchell R. Armstrong, Bohan Shan, Zhenfei Cheng, Dingke Wang, Jichang Liu, Bin Mu

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

The metal-organic framework (MOF) CuBTB was synthesized and used to study adsorption and diffusion of carbon dioxide (CO₂) in the crystal. Experimentally measured CO₂ adsorption isotherms can be successfully fitted using the Toth adsorption model. The maximum adsorption capacity at 300 K and 350 K is 2.08 and 1.08 mmol/g, respectively. The isosteric heat of adsorption of CO₂ on CuBTB is about 26.4 kJ/mol. The intracrystalline diffusivity of CO₂ on CuBTB, obtained with a one-dimensional micropore diffusion model, is in the range of 1.57–9.85 × 10⁻¹² m²/s from 280 K to 350 K, while the diffusion time constant (D_e/r²) is in the range of 24.6–3.93 × 10⁻³ s⁻¹, which is higher than some zeolites. A dual linear-driving force (LDF) model used to estimate the kinetic constants provides an overall better fit to the experimental data than the one-dimensional micropore diffusion model.

Original language	English (US)
Pages (from-to)	10-17
Number of pages	8
Journal	Chemical Engineering Science
Volume	167
DOIs	https://doi.org/10.1016/j.ces.2017.03.049
State	Published - Aug 10 2017

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering
Applied Mathematics

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title = "Adsorption and diffusion of carbon dioxide on the metal-organic framework CuBTB",

abstract = "The metal-organic framework (MOF) CuBTB was synthesized and used to study adsorption and diffusion of carbon dioxide (CO2) in the crystal. Experimentally measured CO2 adsorption isotherms can be successfully fitted using the Toth adsorption model. The maximum adsorption capacity at 300 K and 350 K is 2.08 and 1.08 mmol/g, respectively. The isosteric heat of adsorption of CO2 on CuBTB is about 26.4 kJ/mol. The intracrystalline diffusivity of CO2 on CuBTB, obtained with a one-dimensional micropore diffusion model, is in the range of 1.57–9.85 × 10−12 m2/s from 280 K to 350 K, while the diffusion time constant (De/r2) is in the range of 24.6–3.93 × 10−3 s−1, which is higher than some zeolites. A dual linear-driving force (LDF) model used to estimate the kinetic constants provides an overall better fit to the experimental data than the one-dimensional micropore diffusion model.",

author = "Armstrong, {Mitchell R.} and Bohan Shan and Zhenfei Cheng and Dingke Wang and Jichang Liu and Bin Mu",

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AU - Armstrong, Mitchell R.

AU - Shan, Bohan

AU - Cheng, Zhenfei

AU - Wang, Dingke

AU - Liu, Jichang

AU - Mu, Bin

PY - 2017/8/10

Y1 - 2017/8/10

N2 - The metal-organic framework (MOF) CuBTB was synthesized and used to study adsorption and diffusion of carbon dioxide (CO2) in the crystal. Experimentally measured CO2 adsorption isotherms can be successfully fitted using the Toth adsorption model. The maximum adsorption capacity at 300 K and 350 K is 2.08 and 1.08 mmol/g, respectively. The isosteric heat of adsorption of CO2 on CuBTB is about 26.4 kJ/mol. The intracrystalline diffusivity of CO2 on CuBTB, obtained with a one-dimensional micropore diffusion model, is in the range of 1.57–9.85 × 10−12 m2/s from 280 K to 350 K, while the diffusion time constant (De/r2) is in the range of 24.6–3.93 × 10−3 s−1, which is higher than some zeolites. A dual linear-driving force (LDF) model used to estimate the kinetic constants provides an overall better fit to the experimental data than the one-dimensional micropore diffusion model.

AB - The metal-organic framework (MOF) CuBTB was synthesized and used to study adsorption and diffusion of carbon dioxide (CO2) in the crystal. Experimentally measured CO2 adsorption isotherms can be successfully fitted using the Toth adsorption model. The maximum adsorption capacity at 300 K and 350 K is 2.08 and 1.08 mmol/g, respectively. The isosteric heat of adsorption of CO2 on CuBTB is about 26.4 kJ/mol. The intracrystalline diffusivity of CO2 on CuBTB, obtained with a one-dimensional micropore diffusion model, is in the range of 1.57–9.85 × 10−12 m2/s from 280 K to 350 K, while the diffusion time constant (De/r2) is in the range of 24.6–3.93 × 10−3 s−1, which is higher than some zeolites. A dual linear-driving force (LDF) model used to estimate the kinetic constants provides an overall better fit to the experimental data than the one-dimensional micropore diffusion model.

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Adsorption and diffusion of carbon dioxide on the metal-organic framework CuBTB

Abstract

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