The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems

Can Lv; Yimin Deng; Dongfang Zhao; Miyi Li; Helei Liu

doi:10.1016/j.gce.2025.06.003

The investigation of the reaction mechanism of CO₂ in HMDA/DEEA and EAE/1DMA2P aqueous solution systems

Can Lv, Yimin Deng, Dongfang Zhao, Miyi Li^*, Helei Liu^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering, Beijing Institute of Technology

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

Abstract

Revealing the reaction mechanism of CO₂ absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO₂ capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing ¹³C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The ¹³C NMR analysis identified the formation and conversion of species during CO₂ absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO₂ absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO₂ capture.

Original language	English
Journal	Green Chemical Engineering
DOIs	http://doi.org/10.1016/j.gce.2025.06.003
Publication status	Accepted/In press - 2025
Externally published	Yes

Keywords

Blended amines
CO capture
NMR spectroscopy
Quantum calculations
Reaction mechanism

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10.1016/j.gce.2025.06.003

Cite this

@article{197b6174eb614bc2bb67d4dee9899110,

title = "The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems",

abstract = "Revealing the reaction mechanism of CO2 absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO2 capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing 13C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The 13C NMR analysis identified the formation and conversion of species during CO2 absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO2 absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO2 capture.",

keywords = "Blended amines, CO capture, NMR spectroscopy, Quantum calculations, Reaction mechanism",

author = "Can Lv and Yimin Deng and Dongfang Zhao and Miyi Li and Helei Liu",

note = "Publisher Copyright: {\textcopyright} 2025 Institute of Process Engineering, Chinese Academy of Sciences.",

year = "2025",

doi = "10.1016/j.gce.2025.06.003",

language = "English",

journal = "Green Chemical Engineering",

issn = "2096-9147",

publisher = "KeAi Communications Co.",

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TY - JOUR

T1 - The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems

AU - Lv, Can

AU - Deng, Yimin

AU - Zhao, Dongfang

AU - Li, Miyi

AU - Liu, Helei

PY - 2025

Y1 - 2025

N2 - Revealing the reaction mechanism of CO2 absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO2 capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing 13C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The 13C NMR analysis identified the formation and conversion of species during CO2 absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO2 absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO2 capture.

AB - Revealing the reaction mechanism of CO2 absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO2 capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing 13C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The 13C NMR analysis identified the formation and conversion of species during CO2 absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO2 absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO2 capture.

KW - Blended amines

KW - CO capture

KW - NMR spectroscopy

KW - Quantum calculations

KW - Reaction mechanism

UR - http://www.scopus.com/pages/publications/105009299450

U2 - 10.1016/j.gce.2025.06.003

DO - 10.1016/j.gce.2025.06.003

M3 - Article

AN - SCOPUS:105009299450

SN - 2096-9147

JO - Green Chemical Engineering

JF - Green Chemical Engineering

ER -

The investigation of the reaction mechanism of CO₂ in HMDA/DEEA and EAE/1DMA2P aqueous solution systems

Abstract

Keywords

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