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Diamine-appended metal-organic framework for carbon capture from wet flue gas: Characteristics and mechanism by J.Y. Yong; R.Y. Xie; Q. Huang; X.J. Zhang; B. Li; P.F. Xie; C.F. Wu; L. Jiang is a Engineering article available to read on EtoBox.

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Due to the superior CO 2 adsorption capacity and selectivity, amine-functional solid adsorbents have received increasing attention. Nevertheless, amine-functionalized polyporous materials have a large performance deviation when considering carbon removal capacity under wet flue gas. Therefore, a variety of metal-organic frameworks (MOFs) with amine functionality are synthesized in this work by appending diamine with a propylene linker to Mg 2 (dobpdc) (dobpdc 4-= 4,4′-dioxido-3,3′-biphenyldicarboxylate) and screened under the simulated flue gas environment with a high water content (7 v%). The results indicate that ndmpn-grafted Mg 2 (dobpdc) (ndmpn = N,N-dimethyl-1,3-propanediamine) has a high CO 2 adsorption capacity of 1.72 mmol/g at 60 • C with an extremely low regeneration heat (2.26 GJ/ton CO 2 at the desorption temperature of 145 • C). Adsorption property of ndmpn-Mg 2 (dobpdc) at high humidity is even more excellent than that of another well-reported diaminopropene-appended MOF, dmpn-Mg 2 (dobpdc) (dmpn = 2,2-dimethyl-1,3-propanediamine). Herein, van der Waals (vdW)-corrected density functional theory (DFT) calculations are used to quantitatively analyze binding strengths a

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Author

J.Y. Yong; R.Y. Xie; Q. Huang; X.J. Zhang; B. Li; P.F. Xie; C.F. Wu; L. Jiang

Publisher

Elsevier BV

Published

2024

Language

EN

Field

Engineering (Physical Sciences)