NaNO3掺杂对氧化镁基CO2吸附剂结构与吸脱附性能的影响

doi:10.19964/j.issn.1006-4990.2024-0655

Abstract

Abstract:

The specific surface area of MgO is small，and the number of basic sites is limited.The CO₂ adsorption capacity of the MgO is significantly lower than its theoretical potential.Following CO₂ adsorption，MgO tends to become compact，which negatively impacts its cycling stability.Consequently，enhancing the activity and pore structure of MgO and improving its cycling stability are pressing issues for the application of MgO as a CO₂ adsorbent.MgO-based adsorbents were prepared using a solid-phase calcination method combined with NaNO₃ doping，with bischofite and carbide slag as the raw materials.The effect of NaNO₃ doping on the structure and adsorption-desorption performance of the MgO-based adsorbents was investigated through experimental testing and density functional theory.The results indicated that MgO-based adsorbents produced via solid-phase calcination exhibited a low CO₂ adsorption rate.However，the CO₂ adsorption rate of the MgO-based adsorbents doped with NaNO₃reached a maximum of 24.26%.MgCO₃ was formed and covered on the surface of the MgO-based adsorbent doped by NaNO₃after CO₂ adsorption.Following CO₂ desorption，the main component of the MgO-based adsorbent became MgO.Notably，the NaNO₃ within the sample remained unchanged after CO₂ adsorption and desorption cycles.Density functional theory calculations revealed that doping with NaNO₃ resulted in a CO₃^2- peak after CO₂ adsorption，and the maximum adsorption energy of CO₂on the MgO surface was -1.587 eV.MgCO₃ generated on the MgO surface and the doping with NaNO₃ could promote the adsorption and desorption performance of MgO for CO₂.This research offered significant methodological insights and data support for the development of MgO-based adsorbents，holding both substantial academic research significance and practical application value.

Key words: MgO, CO₂, molten salt, doping, adsorption

CLC Number:

TQ132.2

WU Jie, XU Chunhui, WANG Feng, TANG Zhongfeng. Effect of NaNO₃ doping on structure and adsorption-desorption performance of MgO-based CO₂ adsorbents[J]. Inorganic Chemicals Industry, 2026, 58(2): 60-67.

Figures/Tables 12

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References 23

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模型	∠CO₂ （O—C—O）/°	d（C_CO2—O_CO2）/ Å	d（C_CO2—O_MgO）/ Å	吸附能/eV
MgO-CO₂	136.759	1.251	1.519	-0.166
MgO-Na-CO₂	127.336	1.269	1.383	-0.741
MgO-NaNO₃-CO₂	133.268	1.259	1.535	-0.873
MgO-Na- NaNO₃-CO₂	125.695	1.289	1.342	-1.587

模型	C_CO2/e	O_CO2/e	O_MgO/e
MgO（200）			-1.22
CO₂	0.99	-0.50
MgO-CO₂	0.42	-0.57	-1.00
MgO-Na			-1.03
MgO-Na-CO₂	0.40	-0.51	-0.90
MgO-NaNO₃			-1.23
MgO-NaNO₃-CO₂	0.47	-0.56	-0.95
MgO-Na-NaNO₃			-1.07
MgO-Na-NaNO₃-CO₂	0.50	-0.70	-0.82

National Inorganic Salts Information Center

Inorganic Acid-Base-Salt Committee of CIESC

Effect of NaNO₃ doping on structure and adsorption-desorption performance of MgO-based CO₂ adsorbents

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Effect of NaNO3 doping on structure and adsorption-desorption performance of MgO-based CO2 adsorbents