Tuning critical solution temperature for CO2 capture by aqueous solution of amine

Longeras, Olympe; Gautier, Arnaud; Ballerat‐Busserolles, Karine; Andanson, Jean‐Michel

doi:10.1016/j.molliq.2021.117628

Cited by 14 publications

(5 citation statements)

References 42 publications

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“…In CFF model, two main types of interaction between atoms are considered: bonded interactions (chemical bonds) and non-bonded interactions (vander Waals and electrostatic), and parameters are optimized from experimental structural and spectroscopic data for pure components without any experimental data for mixtures. Due to the importance of CO2 capture and utilization, many models for CO2 adsorption [48][49][50][51] and capture [52][53][54][55][56][57][58] were proposed. Investigations were made on super critical CO2 [59][60][61][62] and of CO2 interacting with various organic molecules .…”

Section: Introductionmentioning

confidence: 99%

Molecular simulation of activity coefficients and the phase diagram of CH3OH-CO2 binary system

Wang

2023

Preprint

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The interaction energies of five pairs of interactions: CH3OH-CH3OH, CH3OH-CO2, CO2-CO2, CH3OH-CH3CH2OH, and CH3CH2OH-CH3CH2OH were obtained using MP2, B3LYP, and B3LYP-D3 methods. Activity coefficients of CH3CH2OH-CH3OH and CH3OH-CO2 systems were calculated using the UNIQUAC equation and the phase diagrams of these binary systems were constructed based on the Raoult's law. The B3LYP-D3 methanol/ethanol isothermal phase diagram at 298K is in good agreement with the experimental data and the agreement is slightly better than the MP2 result and much better than the B3LYP result. Thus, the B3LYP-D3 method is promising to obtaining activity coefficients and illustrates the promise of molecular simulation of phase diagram of binary systems. A carbon dioxide/ethanol isothermal phase diagram at 230K was constructed. The current results showed that CO2 and CH3OH are hardly mixed under the simulation conditions.

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Section: Introductionmentioning

confidence: 99%

Molecular simulation of activity coefficients and the phase diagram of CH3OH-CO2 binary system

Wang

2023

Preprint

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“…At the level of academic research, various classes of chemical compounds and materials are screened to identify and characterize potentially useful and tunable physicochemical properties. [8][9][10][11][12] Both physical and chemical sorption of CO 2 represent a practical interest. [13][14][15][16][17][18] The current chemisorption solutions are preferentially based on the formation of a carbon-nitrogen covalent bond (viz., alkyl amines and derivatives) and strong oxygen-metal ionic bonds (viz., carbonate looping).…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Chemical similarity of dialkyl carbonates and carbon dioxide opens an avenue for novel greenhouse gas scavengers: cheap recycling and low volatility via experiments and simulations

Chaban

Andreeva

Bernard

et al. 2023

Phys. Chem. Chem. Phys.

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“…There are many obstacles in using amine absorption method to capture CO 2 after combustion, which has become an unavoidable challenge for its large-scale commercial application. The affinity between the absorbent and CO 2 must be precisely regulated: if the interaction is too strong, the desorption energy will be great, whereas if the interaction is too weak, CO 2 will not be completely absorbed [29]. Therefore, it is of great significance to develop MEA alternatives with low energy loss and fast absorption rate.…”

Section: Introductionmentioning

confidence: 99%

Aqueous 2-Ethyl-4-methylimidazole Solution for Efficient CO2 Separation and Purification

Zhang

et al. 2023

Separations

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Carbon capture and storage (CCS) technology is considered as one of the most effective short-term solutions in reducing atmospheric CO2 concentrations. A key of CCS technology is to seek the absorbent with low cost, fast absorption rate, and high stability. In this study, we show that 2-ethyl-4-methylimidazole is particularly suitable for efficient CO2 capture. The aqueous solution of 2-ethyl-4-methylimidazole displays a maximum CO2 molar absorption capacity of 1.0 mol∙mol−1 and the absorbed CO2 can be completely released through heating the solution at a relatively low temperature (<100 °C). Stability tests show that the aqueous system is quite stable, with less than 10% loss of the molar absorption capacity after eight absorption–desorption cycles. Time-related in-situ attenuated total reflection infrared absorption spectroscopy and 13C nuclear magnetic resonance spectroscopy studies reveal that the intermediates are HCO3− and H2CO3 in the process of CO2 absorption–desorption. These intermediates are easily decomposed, which are responsible for the low CO2 desorption temperature and high desorption efficiency of the system. Moreover, the aqueous solution of 2-ethyl-4-methylimidazole is able to separate and purify CO2 from flue gas and even ambient air. Consequently, 2-ethyl-4-methylimidazole is a promising low-cost CO2 absorbent for industrial implementation.

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Tuning critical solution temperature for CO2 capture by aqueous solution of amine

Cited by 14 publications

References 42 publications

Molecular simulation of activity coefficients and the phase diagram of CH3OH-CO2 binary system

Molecular simulation of activity coefficients and the phase diagram of CH3OH-CO2 binary system

Chemical similarity of dialkyl carbonates and carbon dioxide opens an avenue for novel greenhouse gas scavengers: cheap recycling and low volatility via experiments and simulations

Aqueous 2-Ethyl-4-methylimidazole Solution for Efficient CO2 Separation and Purification

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