DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids

Protic ionic liquids have been regarded as promising materials to capture CO2, because they can be easily synthesized with an attractive capacity. In this work, we studied the CO2 absorption mechanism by protic ionic liquids (ILs) composed of diamino protic cations and azolide anions. Results of 1H nuclear magnetic resonance (NMR), 13C NMR, 2-D NMR and fourier-transform infrared (FTIR) spectroscopy tests indicated that CO2 reacted with the cations rather than with the anions. The possible reaction pathway between CO2 and azolide-based protic ILs is proposed, in which CO2 reacts with the primary amine group generated from the deprotonation of the cation by the azolide anion.

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A DFT study on the absorption mechanism of vinyl chloride by ionic liquids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.01.026 ◽

2016 ◽

Vol 215 ◽

pp. 496-502 ◽

Cited By ~ 9

Author(s):

Haitao Sun ◽

Bobo Cao ◽

Qingqing Tian ◽

Shuangyue Liu ◽

Dongmei Du ◽

...

Keyword(s):

Ionic Liquids ◽

Vinyl Chloride ◽

Dft Study ◽

Absorption Mechanism

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Performance and pressure drop of CO2 absorption into task-specific and halide-free ionic liquids in a microchannel

10.22541/au.163252053.31799771/v1 ◽

2021 ◽

Author(s):

Daofan Ma ◽

Chunying Zhu ◽

Taotao Fu ◽

Youguang Ma ◽

Xigang Yuan

Keyword(s):

Ionic Liquid ◽

Ionic Liquids ◽

Pressure Drop ◽

Absorption Rate ◽

13C Nmr Spectroscopy ◽

Co2 Absorption ◽

Absorption Mechanism ◽

Chemical Absorption ◽

Two Phase ◽

Gas Liquid Flow

The gas-liquid two-phase flow pattern, absorption rate and pressure drop of CO2 absorbed into the aqueous solution of the task-specific ionic liquid (1-aminopropyl-3-methylimidazole tetrafluoroborate [Apmim][BF4] and 1- hydroxyethyl-3-methylimidazole tetrafluoroborate [OHemim][BF4]) and halide-free ionic liquid 1- butyl -3-methylimidazolium methylsulfate [Bmim][CH3SO4] were investigated in a microreactor. The absorption mechanism of the three ionic liquids was analyzed employing the 13C NMR spectroscopy. The [Apmim][BF4] was found to have the best ability of CO2 capture compared to the other two ionic liquids, as chemical absorption occurred between [Apmim][BF4] and CO2, while only physical absorption took place between [OHemim][BF4] / [Bmim][CH3SO4] and CO2. The sequence of CO2 absorption rate in three ionic liquid aqueous solutions is: [Apmim][BF4] > [Bmim][CH3SO4] >[OHemim][BF4]. Furthermore, the effects of gas-liquid flow rate and ionic liquids concentration on CO2 absorption rate and pressure drop were studied, the pressure drop models based on various flow patterns were proposed.

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Research Trends of Carbon Dioxide Capture using Ionic Liquids and Aqueous Amine-Ionic Liquids Mixtures

Scientific Research Journal ◽

10.24191/srj.v13i1.9382 ◽

2016 ◽

Vol 13 (1) ◽

pp. 53

Author(s):

Siti Nabihah Jamaludin ◽

Ruzitah Mohd Salleh

Keyword(s):

Ionic Liquids ◽

Co2 Capture ◽

Membrane Separation ◽

Carbon Dioxide Capture ◽

Global Climate ◽

Research Trends ◽

Co2 Absorption ◽

Absorption Process ◽

Chemical Absorption ◽

Factors Influencing

Anthropogenic CO2 emissions has led to global climate change and widely contributed to global warming since its concentration has been increasing over time. It has attracted vast attention worldwide. Currently, the different CO2 capture technologies available include absorption, solid adsorption and membrane separation. Chemical absorption technology is regarded as the most mature technology and is commercially used in the industry. However, the key challenge is to find the most efficient solvent in capturing CO2. This paper reviews several types of CO2 capture technologies and the various factors influencing the CO2 absorption process, resulting in the development of a novel solvent for CO2 capture.

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Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116251 ◽

2021 ◽

pp. 116251

Author(s):

M.A. Olea-Amezcua ◽

J.E. Castellanos-Águila ◽

H. HernÁndez-Cocoletzi ◽

E. Ferreira ◽

M. Trejo-Durán ◽

...

Keyword(s):

Ionic Liquids ◽

Chain Length ◽

Dft Study ◽

Side Chain ◽

Side Chain Length ◽

Nlo Properties

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The Synthesis of Poly(Vinyl Alcohol) Grafted with Fluorinated Protic Ionic Liquids Containing Sulfo Functional Groups

Molecules ◽

10.3390/molecules26144158 ◽

2021 ◽

Vol 26 (14) ◽

pp. 4158

Author(s):

Patrycja Glińska ◽

Andrzej Wolan ◽

Wojciech Kujawski ◽

Edyta Rynkowska ◽

Joanna Kujawa

Keyword(s):

Ionic Liquids ◽

Vinyl Alcohol ◽

Proton Exchange ◽

Polymer Materials ◽

Polymerization Reaction ◽

Poly Vinyl Alcohol ◽

Hydroxyl Groups ◽

Protic Ionic Liquids ◽

Synthesis Route ◽

Sulfo Groups

There has been an ongoing need to develop polymer materials with increased performance as proton exchange membranes (PEMs) for middle- and high-temperature fuel cells. Poly(vinyl alcohol) (PVA) is a highly hydrophilic and chemically stable polymer bearing hydroxyl groups, which can be further altered. Protic ionic liquids (proticILs) have been found to be an effective modifying polymer agent used as a proton carrier providing PEMs’ desirable proton conductivity at high temperatures and under anhydrous conditions. In this study, the novel synthesis route of PVA grafted with fluorinated protic ionic liquids bearing sulfo groups (–SO3H) was elaborated. The polymer functionalization with fluorinated proticILs was achieved by the following approaches: (i) the PVA acylation and subsequent reaction with fluorinated sultones and (ii) free-radical polymerization reaction of vinyl acetate derivatives modified with 1-methylimidazole and sultones. These modifications resulted in the PVA being chemically modified with ionic liquids of protic character. The successfully grafted PVA has been characterized using 1H, 19F, and 13C-NMR and FTIR-ATR. The presented synthesis route is a novel approach to PVA functionalization with imidazole-based fluorinated ionic liquids with sulfo groups.

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Development of a robust soft-SAFT model for protic ionic liquids using new high-pressure density data

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113036 ◽

2021 ◽

pp. 113036

Author(s):

Emanuel A. Crespo ◽

Liliana P. Silva ◽

Cristina I.P. Correia ◽

Mónia A.R. Martins ◽

Ramesh L. Gardas ◽

...

Keyword(s):

High Pressure ◽

Ionic Liquids ◽

Protic Ionic Liquids ◽

Density Data

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Insights into the translational and rotational dynamics of cations and anions in protic ionic liquids by means of NMR fast-field-cycling relaxometry

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05440b ◽

2021 ◽

Vol 23 (4) ◽

pp. 2663-2675

Author(s):

Viviane Overbeck ◽

Henning Schröder ◽

Anne-Marie Bonsa ◽

Klaus Neymeyr ◽

Ralf Ludwig

Keyword(s):

Ionic Liquids ◽

Rotational Dynamics ◽

Protic Ionic Liquids ◽

Field Cycling ◽

Fast Field ◽

Hydrogen Bonded

NMR Fast-Field-Cycling (FFC) relaxometry provides important information about translational and rotational dynamics of hydrogen bonded protic ionic liquids (PILs).

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