Experimental and Computational Evaluation of 1,2,4-Triazolium-Based Ionic Liquids for Carbon Dioxide Capture
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Density Measurement
2.3. CO2 Absorption Capacity in ILs
2.4. Computational Methods
3. Results and Discussions
3.1. Density and CO2 Solubility of Different ILs
3.2. Role of the Anions on the ILs’ Capacity to Dissolve CO2
3.3. Role of the Cations on the ILs’ Capacity to Dissolve CO2
3.4. Effect of the Alkyl Chain Length on CO2 Solubility of the ILs
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Ionic Liquids | Density (g/cm3) | Molecular Weight, MW (g/mol) | Molar Volume (cm3/mol) | Maximum Capacity Values, x, (Mol (CO2 abs)/Mol (IL)) |
---|---|---|---|---|
[EMIM][BF4] | 1.280 | 197.97 | 154.63 | 0.0795 |
[BMIM][BF4] | 1.222 | 226.02 | 185.03 | 0.0972 |
[BMIM][GLY] | 1.108 | 213.29 | 192.48 | 0.2150 |
[BBT][BF4] | 1.154 | 269.09 | 233.12 | 0.1553 |
[EMIM][TFSI] | 1.517 | 391.3 | 257.96 | 0.1808 |
[HMIM][TFSI] | 1.371 | 447.42 | 326.35 | 0.2335 |
[BBT][TFSI] | 1.359 | 462.45 | 340.19 | 0.2523 |
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Mohammed, S.A.S.; Yahya, W.Z.N.; Bustam, M.A.; Kibria, M.G. Experimental and Computational Evaluation of 1,2,4-Triazolium-Based Ionic Liquids for Carbon Dioxide Capture. Separations 2023, 10, 192. https://doi.org/10.3390/separations10030192
Mohammed SAS, Yahya WZN, Bustam MA, Kibria MG. Experimental and Computational Evaluation of 1,2,4-Triazolium-Based Ionic Liquids for Carbon Dioxide Capture. Separations. 2023; 10(3):192. https://doi.org/10.3390/separations10030192
Chicago/Turabian StyleMohammed, Sulafa Abdalmageed Saadaldeen, Wan Zaireen Nisa Yahya, Mohamad Azmi Bustam, and Md Golam Kibria. 2023. "Experimental and Computational Evaluation of 1,2,4-Triazolium-Based Ionic Liquids for Carbon Dioxide Capture" Separations 10, no. 3: 192. https://doi.org/10.3390/separations10030192