Computational and experimental studies on the CO2 adsorption of layered double hydroxide intercalated by anionic surfactant

Qiuping Liu, Yu Zhao, Zhe Jiang, Yanhong Cui, Jiawei Wang, Ning Ai*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The Mg[sbnd]Al, Ca[sbnd]Al, Zn[sbnd]Al and Mg[sbnd]Fe layered double hydroxides intercalated by sodium dodecyl sulfate was prepared by a co-precipitation method. These materials were characterized by elemental analysis, Powder X-ray diffraction (XRD) and N2 physical adsorption and desorption. Adsorption of CO2 on the samples was investigated by thermogravimetric analysis at 30 °C under 1 bar. The samples had a CO2 adsorption capacity in the range of 0.35–0.58 mmol/g. Ca[sbnd]Al layered double hydroxide intercalated by sodium dodecyl sulfate (SDS) had the highest CO2 adsorption capacity. The layered structures were analyzed by using quantum chemical calculation methods. The simulation results showed that CO2 adsorption capacity was correlated to the ELUMO and the density of Lowest Unoccupied Molecular Orbital (LUMO). The higher ELUMO and density of LUMO orbitals promoted the formation of O-H…O hydrogen bonds, which leaded to the higher CO2 adsorption capacity.

Original languageEnglish
Article number105556
JournalApplied Clay Science
Volume190
Early online date14 Mar 2020
DOIs
Publication statusPublished - 1 Jun 2020

Bibliographical note

© 2020, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

Keywords

  • Adsorption
  • Carbon Capture
  • Layered double Hydroxide
  • Quantum Chemical Calculation

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