Theoretical and Experimental Studies of 1-Butyl-3-methylimidazolium Methanesulfonate Ionic Liquid

Rather, Sami-ullah; Bamufleh, Hisham S.; Alhumade, Hesham; Saeed, Usman; Taimoor, Aqeel Ahmad; Sulaimon, Aliyu Adebayo; Alalayah, Walid M.; Shariff, Azmi Mohd

doi:https://doi.org/10.1155/2023/3971296

International Journal of Energy Research

On this page

Abstract Introduction Results and Discussion Conclusion Data Availability Conflicts of Interest Acknowledgments References Copyright Related Articles

Research Article | Open Access

Volume 2023 | Article ID 3971296 | https://doi.org/10.1155/2023/3971296

Theoretical and Experimental Studies of 1-Butyl-3-methylimidazolium Methanesulfonate Ionic Liquid

Sami-ullah Rather,¹Hisham S. Bamufleh,¹Hesham Alhumade,¹Usman Saeed,¹Aqeel Ahmad Taimoor,¹Aliyu Adebayo Sulaimon,²Walid M. Alalayah,¹and Azmi Mohd Shariff³

Academic Editor: Benkun Qi

Received04 Jan 2023

Revised24 Mar 2023

Accepted05 May 2023

Published18 May 2023

Abstract

The intimidating level of anthropogenic CO₂ in the atmosphere responsible for global warming and erratic weather conditions needs to be addressed on a priority basis. Different kinds of materials were used to capture CO₂ to curtail the alarming and drastic effects of global warming. An ionic liquid (IL) 1-butyl-3-methylimidazolium methanesulfonate [C₄mim][CH₃SO₃] was chosen, owing to its unique and efficient characteristics required for CO₂ capture. Thermos-physical characteristics such as sigma surface, sigma profile, and sigma potential are calculated from the COSMO-RS model independent of any kind of experimental or coefficient data as an input. The mandatory information required for the interaction of IL with CO₂ was obtained from this model. The COSMO-RS model depends upon unimolecular quantum chemical analysis associated with statistical thermodynamics, molecular structure, and conformation. The structural confirmation of [C₄mim][CH₃SO₃] IL was performed by FTIR, 1H NMR, and 13C NMR spectroscopic methods. Spectrochemical properties are calculated by FTIR, NMR, UV-visible, and fluorescence. Maximum CO₂ solubility performed at room temperature (RT) and 45 bar was found to be ~2.7 mmol/g. The uptake of CO₂ indicates the presence of sulphur-functionalized anions and bulky alkyl groups in IL’s significant affinity towards CO₂. According to hysteresis-based classification, CO₂ sorption and desorption follows type H3 classification, which indicates the presence of microporous and mesoporous in the IL sample. The effect of functionalized anions and alkyl groups on CO₂ capture is highlighted in this study. The present study is aimed at providing a detailed overview related to theoretical and experimental study and application in terms of CO₂ capture of IL.

1. Introduction

An alarming use of fossil fuels to produce energy for different purposes releases massive scale of CO₂ primarily responsible for climatic fluctuations all over the world due to global warming [1–3]. This huge CO₂ emission to the atmosphere is increasing rapidly due to enormous development taking place everywhere. A substantial part of CO₂ emission is coming from power plants (41%) followed by transport (23%), industries (20%), construction (4%), and other sectors (12%) [4]. Excessive CO₂ emission is produced by combustion to generate electricity and heat [5, 6]. The expansion of CO₂ emission and its harmful effects such as global warming and erratic climatic conditions concern researchers, scientists, and academicians all over the world. To minimize the intimidating effects of global warming, a simple, quick, and efficient method is required to decrease the emission of CO₂ into the atmosphere [7, 8]. The precombustion, postcombustion, and oxycombustion methods are currently being implemented to reduce the emission of CO₂ into the atmosphere [9–11]. In addition, to attain methane with low CO₂ content emission, impurities are eliminated to use methane as a biomethane, a useful replacement for natural gas [12–14].

Three important types of amines including monoethanolamine (MEA), diethanolamine (DEA), and methyldiethanolamine (MDA) are utilized to capture CO₂ also known as early amine technology for CO₂ capture [15, 16]. MEA (30%) together with water was used in industry for CO₂ capture owing to its excellent properties [17]. In addition, chemical reactions utilized higher CO₂ enthalpy to show the high-energy amount in the transformation process [18]. The amine-based technology utilized a CO₂ capture process in the current power area to lower energy by ~25-40% [19]. Besides several advantages of amine-based technology, many disadvantages such as the requirement of excessive energy, instrument disintegration, adsorbent volatility, and low CO₂ capture were also found [20]. Furthermore, this technology uses massive investment and postcombustion of CO₂ uptake, which makes it economically not affordable [21]. To overcome the drawbacks of amine-based technology, efficient and economical kind of materials such as stable ionic liquids (ILs) were currently being used for CO₂ capture [3, 22, 23]. The low energy requirement in the regeneration stage of ILs forces researchers worldwide to shift research from amine-based technology to IL-based technology [24]. For the CO₂ capture process, stable room temperature ionic liquids (RTILs) also known as green solvents are used owing to their unique characteristics. Recently, a cost target of $40/tCO₂ for efficient, innovative, and stable generation solvents was set by the Department of Energy (DOE) [25, 26]. Recently, different kinds of ILs such as 1-n-butyl-3-methylimi-dazolium hexafluorophosphate ([bmim][PF₆]), 1-n-butyl-2,3-dimethylimidazolium hexafluorophosphate ([bmmim][PF₆]), 3-butyl-1-methylimidazolium bis(trifluoromethane-sulfonyl)amide ([bmim][Tf₂N]), 1-n-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF₄]), 1-n-butyl-2,3-dimethylimidazolium tetrafluoroborate ([bm-mim][BF₄]), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf₂N]), 1-butylpyridinium bis(trifluoromethanesulfonyl)amide ([bpy][Tf₂N]), 1-propyl-2,3-dimethylimidazolium bis(trifluoromethane-sulfonyl)amide ([pdmim][Tf₂N]), and 1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([emmim][Tf₂N]) were utilized in order to understand the mechanism of CO₂ solubility in imidazolium-based ILs at different temperatures and pressures. This kind of imidazolium-based ILs is considered important for CO₂ capture owing to its unique characteristics including lower melting points, low viscosity, facile synthesis, and significant stability towards oxidative and reductive behaviors. Furthermore, it was discovered that anion plays the primary role to interact with the CO₂ and cations dominate the secondary role in imidazolium-based ILs.

Screening model COSMO-RS based on the approach of density functional theory (DFT) was utilized to screen different types of solvents for CO₂ capture [27–29]. Molecular structure in terms of conformation collected from electronic calculations of the desired compound is the isolated parameter mandatory for COSMO-RS calculations [30–32]. The sigma potentials, sigma surfaces, sigma profiles, phase equilibrium, and activity coefficient parameters were obtained from this screening model [33–35]. The nominal type of data required for different types of calculations makes the COSMO-RS type model interesting and ambitious as compared to thermodynamic calculations where several kinds of parameters are essential to fix the data to accomplish proper results. To perceive the solubility process based on the analysis of quantum calculations, the screening model uses statistical thermodynamics. In short, the advantages mentioned in this section cited from different literature sources make this model an absolute replacement to calculate parameters particularly the sigma surface, sigma potential, and sigma profile of the ILs.

Ionic liquid 1-butyl-3-methylimidazolium methanesulfonate [C₄mim][CH₃SO₃] was investigated both theoretically and experimentally. Detailed examination to study charge density distribution, sigma profile, and sigma potential was performed by the computational-based conductivity model COSMO-RS. The sigma profile, potential, and surfaces are derived from quantum mechanical calculation with molecular and confirmation data only. The physical and chemical properties, quantitative and qualitative measurements, and identification of compounds were analyzed in this research study. FTIR, 1H NMR, 13C NMR, fluorescence, and UV-visible spectroscopic methods performed these measurements. Another aim of this research study was to perform CO₂ capture at room temperature (RT) of IL, which may help in the future to minimize the harmful effects of global warming and climatic fluctuations. The COSMO-RS helps us to measure the sigma surface, sigma profile, and sigma potential which provides us virtual conductor environment required for the prediction of the interaction of IL with CO₂. Different types of characterizations such as 1H NMR, 13C NMR, and FT-IR confirmed the structure of IL. Another important finding related to this study was to find ~2.7 mmol/g of CO₂ uptake at RT and an equilibrium pressure of 45 bar. As far our knowledge is concerned, imidazolium-based IL used in this study shows significant CO₂ uptake as compared to values reported in the literature.

2. Experimental Section

2.1. Adsorbent

Ionic liquid (IL) 1-butyl-3-methylimidazolium methanesulfonate [C₄mim][CH₃SO₃] was obtained from Sigma-Aldrich. Before characterization, IL dried at 313.15 K for one hour. Before sorption/desorption measurement, IL was activated by outgassed in situ ultrahigh vacuum conditions for 24 h at room temperature (RT).

2.2. Computational Method

The COSMO-RS software is an economical, quick, and adequate method to evaluate the thermodynamic, physical, and molecular characteristics of ILs [36]. This software works on unimolecular quantum study installed with authentic static thermodynamics that gives accurate data required for the calculation of molecular interactions in the ILs [37]. In this current report, COSMO-RS uses the BVP86/TZVP/DGA1 level of theory to screen charges on the surface of [C₄mim][CH₃SO₃]. The structure of IL in the form of color coding 2D/3D, surface charge density, sigma profile, and sigma potential was calculated by using the COSMO-RS model. COSMO-RS uses an advanced thermodynamics path to elaborate the solubility process settled on the outcome of quantum chemical results. The parameters related to the qualitative description of IL are polarity, hydrogen bonding, lipophilicity, and hydrophilicity, which are estimated by using COSMO-RS three-dimensional (3D) sigma surface or screen and charge distribution. Furthermore, these kinds of properties make a model an important replacement for the calculation of activity coefficients.

2.3. Characterization

Fourier transform infrared (FTIR) spectroscopy pattern of [C₄mim][CH₃SO₃] was obtained from Bruker ALPHA FT-IR spectrometer (Eco-ATR) using the KBr pellet process. The wavenumber range of the spectrum is 500-4000 cm^-1. The 1H NMR (proton nuclear magnetic resonance) and 13C NMR (carbon 13 nuclear magnetic resonance) using Bruker AVANCE 400 NMR spectrometer were measured in a 5 mm precision glass NMR tube at RT in deuterated solvent DMSO-d₆ or CDCl₃ with tetramethylsilane (TMS) as the internal standard. In the splitting process, “s” is assigned as a singlet, “d” doublet, “dd” doublet of doublets, “t” triplet, and “m” multiplet. The coupling constant (J) in NMR is denoted as hertz (Hz). Both 1H NMR and 13C NMR patterns were analyzed by the Delta software package. The 1H NMR and 13C NMR analyses of the IL are as follows: 1H NMR (DMSO-d₆): δ 0.90 (t, 3H, CH₃), 1.25 (m, 2H, CH₂), 1.76 (m, 2H, NCH₂CH₂), 2.33 (s, 3H, (SO₃)CH₃), 3.86 (s, 3H, NCH₃), 4.17 (t, 2H, NCH₂), 7.71 (s, 1H, ArH), 7.78 (s, 1H, ArH), 9.16 (s, 1H, ArH); 13C NMR (DMSO-d₆): δ 13.73 (CH₂CH₃), 19.23 (CH₂CH₃), 31.82 (CH₂CH₂CH₃), 36.18 (CH₃S), 40.20 (NHCH₃), 48.95 (NCH₂CH₃), 122.74 (NCH), 124.08 (NCH), 137.06 (NCHN). Fluorescence was recorded on Cary Eclipse fluorescence spectrometer (Agilent, USA) in a 1 cm cell assembled with a 150 W lamp and water bath. The emission spectrum was obtained in the range of 290 nm to 600 nm wavelength with 280 nm excitation wavelength using slit width 5 nm each. The fluorescence was performed in a methanol solvent. UV-visible absorption spectroscopy was performed in a T80 UV/visible spectrophotometer running from 300 to 650 nm at RT.

2.4. Carbon Dioxide Capture

High-pressure CO₂ capture of [C₄mim][CH₃SO₃] was executed at RT in a customized manometric instrument designed and built by the LMA group, now commercialized as iSorpHP by Quantachrome Instruments [38]. Before sorption/desorption measurements, IL was activated by being outgassed under ultrahigh vacuum conditions for 24 h at RT. Sorption/desorption isotherm was obtained at RT and 4.5 MPa. Gas expanded from a thermostat-dosing manifold of settled volume into the IL sample cell of the instrument. The instrument automatically measured the internal volume of the cell by using a helium-expansion calibration process. The volume of the gas discharged into the cell is measured by the pressure drop in the manifold. Postequilibrium is accomplished; the final pressure in the sample cell is recorded. The instrumental setup is established in an isothermal bath, and the inside temperature is administered and maintained by a proportional-integral-differential (PID) composed thermostat. The Redlich-Kwong equation is used to measure the accurate dead volume of the instrument. Approximately, 200 mg of sample was used for each CO₂ sorption/desorption experiment. The CO₂ was vented into the apparatus and maintained until equilibrium pressure was obtained. Post accomplishing equilibrium, CO₂ gas isothermally discharged into a sample containing a steel reactor and a pressure drop of CO₂ was recorded. The CO₂ capture was measured from pressure drop using the ideal gas equation , where , , , , and have their usual meaning.

3. Results and Discussion

Figure 1 shows a chemical structure in the form of 2D/3D along with the COSMO-RS surface charge density of IL [C₄mim][CH₃SO₃]. The sigma surface contains cation and anion with varying colors showing the strength of the hydrogen-bond donor and hydrogen-bond acceptor and nonpolarity. The color scale indicates the level of electropositivity and electronegativity nature of cation and anion. The blue area in the cation indicates a positive charge owing to its acidic hydrogen, and the red surface shows negative due to fluorine and oxygen, which are highly electronegative. Sigma () profile displayed in Figure 2 indicates a division of polar charges related to the molecular surface. The -profile shows charge densities, which are expressed to show a relative quantity of surface with polarity . The graph where () is plotted againstdisplays how far the molecular surface has traveled over the few intervals of polarity (). The information related to the effect of cation and anion in the IL was achieved from the sigma profile by utilizing the COSMO-RS model. The -profile of 1-butyl-3-methylimidazolium cation and methanesulfonate anion shown in Figure 2 extends from -0.03 (donor) to 0.03 (acceptor) with a maximum spike at about 22 and 15 (), respectively The region beyond +0.01 and –0.01 indicates intense polarity with a possibility to achieve hydrogen bonds (HBs). The area between ±0.01 is considered a nonpolar region. The highly polarized region beyond +0.01 belongs to imidazolium, hydrocarbon chain, and a methyl group. Similarly, a highly polarized region beyond -0.01 belongs to the methanesulfonate anion. Multiple peaks corresponding to anion may be due to the presence of highly negative oxygen and sulphur element. In addition, both cation and anion molecules can act as a donor and acceptor to make hydrogen bonds. The peak strength of the cation in the nonpolar region is high compared to the peak intensity of the anion [39]. Figure 3 shows the sigma potential profile of [C₄mim][CH₃SO₃] IL. Total energy calculated from sigma potential is composed of two sections: (a) recovering free energy, which assists to reinstate the molecule to its originality and energy, is positive, and (b) unrestricted hydrogen bonding energy is negative in nature because of the hydrogen bond between hydrogen bond donor and hydrogen bond acceptor. The final negative charge indicates control of hydrogen bonding, while the final positive charge shows the influence of free energy reconstruction. The COSMO-RS histogram shows three main areas: (i) hydrogen bond donor beyond the region of –0.01 (b) hydrogen bond acceptor beyond the region of +0.01 , and (c) nonpolar region between Regions between +0.01 and –0.01 indicate nonpolar nature taking part mainly in CH- interaction [40].

FTIR in the form of % transmittance vs. wavenumber (cm^-1) displayed in Figure 4 shows different types of mixed peaks. The broad characteristic band at 2960-3097 cm^-1 corresponds to the symmetric and asymmetric vibrational state of the imidazole ring ν(C–H) and aliphatic ν(C–H) groups. The different kinds of vibrational bands found in the FTIR spectrum are summarized in Table 1. The absorption bands such as imidazole ν(ring stretching), imidazole H–C–C and H–C–N bending, SO₃ symmetric stretch, in-plane imidazole ring bending, out-of-plane C–H bending of imidazole ring, C-S stretch, SO₃ symmetric bend, and imidazole C₂–N₁–C₅ bending were found at 1570.28, 1186.14, 1049.35, 850.52, 754.28, and 624.64 cm^-1, respectively, confirming the presence of [C₄mim][CH₃SO₃] IL. Furthermore, no red shift or blue shift was observed in the FTIR spectrum.

The residual proton in deuterated solvent DMSO-d₆ found at 2.50-2.52 ppm was used as 1H NMR external reference. The positions and existence of ambient hydrogen atoms or protons in the [C₄mim][CH₃SO₃] are shown in Figure 5 and Table 2. Assigned 1H NMR of IL calculated from the MNova software package is displayed in Figure 6. The presence of distinct chemical shifts in the 1H NMR spectrum confirms the structure of IL. The chemical shift found at 0.90 ppm indicates protons associated with carbon and hydrogen in the form of the CH₃ group in the structure. The broad chemical shifts found at 1.23-1.29 ppm and 1.76 ppm show protons associated with carbon and hydrogen in the form of CH₂ and NCH₂CH₂ groups. The chemical shift at 2.33 and 3.86 ppm shows protons associated with carbon, S, and nitrogen in the form of SO₃CH₃ and NCH₃ groups. Similarly, the broad chemical shifts found at 7.71, 7.78, and 9.16 ppm show protons associated with carbon and hydrogen in the form of the ArH group.

The 13C NMR spectra of IL [C₄mim][CH₃SO₃] were obtained by using Bruker AVANCE 400 NMR spectrometer having N₂ as a carrier gas to fix the position and ambiance of distinct type of carbon atoms present. Figure 7 followed by Table 3 shows distinct chemical shifts for varying types of carbons present in the DMSO-d₆ as a solvent. Assigned 13C NMR of IL [C₄mim][CH₃SO₃] calculated from the MNova software package is displayed in Figure 8. The ¹³C chemical shifts found at 39.36-40.61 ppm correspond to solvent DMSO-d₆. The ¹³C chemical shifts found at 13.73, 19.23, 31.82, 36.18, 40.20, 48.95, 122.74, 124.08, and 137.06 ppm show the presence of carbon atoms in the form of -CH₂CH₃, -CH₂CH₂CH_3, -CH₃S, -NHCH₃, NCH₂CH₃, -NCH, and NCHN groups. The presence of different types of carbon atoms in the spectrum confirms the structure of IL.

Figure 9 displays the fluorescence measurement of [C₄mim][CH₃SO₃] IL in polar solvent methanol. The emission peak of methanol related to interaction with IL was found at 310 nm. The high intensity peak of methanol indicates the interaction of methanol with IL via cation-π interactions and hydrogen bonding [41]. In addition, the high peak intensity of methanol suggests solubility of IL in methanol may be due to the presence of sulphur and oxygen groups in the anion region. The excitation spectra match in shape and position almost like the absorption spectrum of methanol solvent suggesting emission measured origin from the same compound. The spectrophotometric analysis in terms of UV-visible in the range of 300-650 nm of [C₄mim][CH₃SO₃] IL is shown in Figure 10. The absorption spectra were performed in a 1 cm quartz cell. The absorbance behavior of IL in the UV-visible range in methanol solution was recorded at RT. The absorption spectra show a prominent broad absorption peak at 230 nm corresponding to transition of CH₂ unit and group of C=N and S=O.

The CO₂ capture analysis of [C₄mim][CH₃SO₃] IL presented in Figure 11(a) shows adsorption (○) and desorption (●) isotherms. The isotherm is executed at high pressure using a static high-pressure apparatus at RT. The Benedict-Webb-Rubin (mBWR) equation of state (EOS) is an extension of virial EOS employed for CO₂ isotherm [42]. The maximum CO₂ sorption of the IL was found ~2.7 mmol/g at RT and 45 bar. Figure 11(b) shows the dependence of the maximum CO₂ absorption capacity as a function of equilibrium pressure. Furthermore, we found that CO₂ absorption capacity is found to have a monotonous dependence on the equilibrium pressure which indicates that there are no significant adsorbate–adsorbate interactions at low experimental pressures. It was found that CO₂ capture is dependent on the bonding of CO₂ with the anion as suggested by the spectroscopic and molecular simulation studies. The presence of sulphur-functionalized atoms in the IL was found to be supportive for bonding between CO₂ and sulphur containing substituents present in the anion [43]. Furthermore, more sulphur atoms in anions followed by the presence of ammonium group with bulky alkyl chain groups in the cation may also reinforce overall CO₂ capture [44]. At high pressure, the uptake of CO₂ is more as compared to low pressure because our results show more than 80% uptake found at high pressure. It was found that the alky chain of the IL boosts CO₂ uptake when the alkyl chain length was elevated from ethyl to hexyl. Blanchard et al. also found that CO₂ solubility increases when the alkyl chain length was elevated from butyl to octyl [45]. The CO₂ absorption capacity of imidazolium-based ionic liquids such as [BBT][TFSI], [HMIM][TFSI], [BMIM][GLY], [EMIM][TFSI], [BBT][BF4], [BMIM][BF4], and [EMIM][BF4] at RT was found to be 0.2523, 0.2335, 0.2150, 0.1808, 0.1553, 0.0972, and 0.0795 (Mol (CO₂ abs)/Mol (IL)) (https://www.mdpi.com/2297-8739/10/3/192). In addition, it was observed that triazolium-based ILs show higher CO₂ absorption capacity as compared to imidazolium-based ILs with the same anion. Another series of imidazolium-based ILs such as [EMIM][Tf2N], [EMMIM][Tf2N], [BMIM][PF6], [BMMIM][PF6], and [BMMIM][BF4] were utilized to perform CO₂ absorption [J. AM. CHEM. SOC. 2004, 126, 5300-5308]. It was found that bis(trifluoromethylsulfonyl)-based imide anion shows high CO₂ absorption capacity. Furthermore, there is a little difference in CO₂ absorption between ILs having the tetrafluoroborate or hexafluorophosphate anion.

4. Conclusion

To reduce the effects of global warming and erratic climatic conditions generated by the emission of CO₂ into the atmosphere, an efficient adsorbing material 1-butyl-3-methylimidazolium methanesulfonate [C₄mim][CH₃SO₃] ionic liquid (IL) was chosen to study theoretically and experimentally. The IL was analyzed by COSMO-RS, a conductor-screening model to obtain various distinct parameters including sigma surface, sigma profile, and sigma potential. The striking feature of this model is that no experimental data, coefficients, or parameters are required to obtain these properties. Characterizations such as 1H NMR, 13C NMR, and FT-IR were used to confirm the structural characteristics of IL. The spectrochemical properties were calculated by using FTIR, 1H NMR, 13C NMR, UV-visible, and fluorescence. The maximum CO₂ uptake performed at RT and an equilibrium pressure of 45 bar was found to be ~2.7 mmol/g. According to the hysteresis-based classifications, hysteresis follows type H3 classification indicating the presence of microporous and mesoporous kinds of materials.

Data Availability

Data are available on request.

Conflicts of Interest

The authors declare that they have no conflict of interest.

Acknowledgments

This research work was funded by Institutional Fund Projects under grant no. IFPNC-003-135-2020. Therefore, authors gratefully acknowledge technical and financial support from the Ministry of Education and King Abdulaziz University, Jeddah, Saudi Arabia.

References

M. Aghaie, N. Rezaei, and S. Zendehboudi, “A systematic review on CO₂ capture with ionic liquids: current status and future prospects,” Renewable and Sustainable Energy Reviews, vol. 96, pp. 502–525, 2018.
View at: Publisher Site | Google Scholar
A. Cousins, L. T. Wardhaugh, and P. H. M. Feron, “A survey of process flow sheet modifications for energy efficient CO₂ capture from flue gases using chemical absorption,” International Journal of Greenhouse Gas Control, vol. 5, no. 4, pp. 605–619, 2011.
View at: Publisher Site | Google Scholar
M. Ramdin, T. W. de Loos, and T. J. H. Vlugt, “State-of-the-art of CO₂ capture with ionic liquids,” Industrial & Engineering Chemistry Research, vol. 51, no. 24, pp. 8149–8177, 2012.
View at: Publisher Site | Google Scholar
N. S. M. Safaai, Z. Z. Noor, H. Hashim, Z. Ujang, and J. Talib, “Projection of CO₂ emissions in Malaysia,” Environmental Progress & Sustainable Energy, vol. 30, no. 4, pp. 658–665, 2011.
View at: Publisher Site | Google Scholar
Y. Ma, J. Gao, Y. Wang, J. Hu, and P. Cui, “Ionic liquid-based CO₂ capture in power plants for low carbon emissions,” International Journal of Greenhouse Gas Control, vol. 75, pp. 134–139, 2018.
View at: Publisher Site | Google Scholar
T. Ma, J. Wang, Z. Du et al., “A process simulation study of CO₂ capture by ionic liquids,” International Journal of Greenhouse Gas Control, vol. 58, pp. 223–231, 2017.
View at: Publisher Site | Google Scholar
M. R. M. Abu-Zahra, L. H. J. Schneiders, J. P. M. Niederer, P. H. M. Feron, and G. F. Versteeg, “CO₂ capture from power plants,” International Journal of Greenhouse Gas Control, vol. 1, no. 1, pp. 37–46, 2007.
View at: Publisher Site | Google Scholar
P. Mores, N. Rodríguez, N. Scenna, and S. Mussati, “CO₂ capture in power plants: minimization of the investment and operating cost of the post-combustion process using MEA aqueous solution,” International Journal of Greenhouse Gas Control, vol. 10, pp. 148–163, 2012.
View at: Publisher Site | Google Scholar
A. Mukherjee, J. A. Okolie, A. Abdelrasoul, C. Niu, and A. K. Dalai, “Review of post-combustion carbon dioxide capture technologies using activated carbon,” Journal of Environmental Sciences, vol. 83, pp. 46–63, 2019.
View at: Publisher Site | Google Scholar
A. G. Olabi, K. Obaideen, K. Elsaid et al., “Assessment of the pre-combustion carbon capture contribution into sustainable development goals SDGs using novel indicators,” Renewable and Sustainable Energy Reviews, vol. 153, p. 111710, 2022.
View at: Publisher Site | Google Scholar
R. Thiruvenkatachari, S. Su, H. An, and X. X. Yu, “Post combustion CO₂ capture by carbon fibre monolithic adsorbents,” Progress in Energy and Combustion Science, vol. 35, no. 5, pp. 438–455, 2009.
View at: Publisher Site | Google Scholar
A. Memetova, I. Tyagi, R. R. Karri et al., “Porous carbon-based material as a sustainable alternative for the storage of natural gas (methane) and biogas (biomethane): a review,” Chemical Engineering Journal, vol. 446, p. 137373, 2022.
View at: Publisher Site | Google Scholar
G. Leonzio, “Upgrading of biogas to bio-methane with chemical absorption process: simulation and environmental impact,” Journal of Cleaner Production, vol. 131, pp. 364–375, 2016.
View at: Publisher Site | Google Scholar
A. T. Zoghi, F. Feyzi, and S. Zarrinpashneh, “Experimental investigation on the effect of addition of amine activators to aqueous solutions of N-methyldiethanolamine on the rate of carbon dioxide absorption,” International Journal of Greenhouse Gas Control, vol. 7, pp. 12–19, 2012.
View at: Publisher Site | Google Scholar
G. Murshid, H. Ghaedi, M. Ayoub, S. Garg, and W. Ahmad, “Experimental and correlation of viscosity and refractive index of non-aqueous system of diethanolamine (DEA) and dimethylformamide (DMF) for CO₂ capture,” Journal of Molecular Liquids, vol. 250, pp. 162–170, 2018.
View at: Publisher Site | Google Scholar
P. Luis, “Use of monoethanolamine (MEA) for CO₂ capture in a global scenario: consequences and alternatives,” Desalination, vol. 380, pp. 93–99, 2016.
View at: Publisher Site | Google Scholar
S. J. McGurk, C. F. Martín, S. Brandani, M. B. Sweatman, and X. Fan, “Microwave swing regeneration of aqueous monoethanolamine for post-combustion CO₂ capture,” Applied Energy, vol. 192, pp. 126–133, 2017.
View at: Publisher Site | Google Scholar
J. T. Yeh, K. P. Resnik, K. Rygle, and H. W. Pennlin, “Semi-batch absorption and regeneration studies for CO₂ capture by aqueous ammonia,” Fuel Processing Technology, vol. 86, no. 14-15, pp. 1533–1546, 2005.
View at: Publisher Site | Google Scholar
B. Dutcher, M. Fan, and A. G. Russell, “Amine-based CO₂ capture technology development from the beginning of 2013—a review,” ACS Applied Materials and Interfaces, vol. 7, no. 4, pp. 2137–2148, 2015.
View at: Publisher Site | Google Scholar
F. O. Ochedi, J. Yu, H. Yu, Y. Liu, and A. Hussain, “Carbon dioxide capture using liquid absorption methods: a review,” Environmental Chemistry Letters, vol. 19, no. 1, pp. 77–109, 2021.
View at: Publisher Site | Google Scholar
Q. Zhang, R. Turton, and D. Bhattacharyya, “Development of model and model-predictive control of an MEA-based postcombustion CO₂ capture process,” Industrial & Engineering Chemistry Research, vol. 55, no. 5, pp. 1292–1308, 2016.
View at: Publisher Site | Google Scholar
M. Hasib-ur-Rahman, M. Siaj, and F. Larachia, “Ionic liquids for CO₂ capture—development and progress,” Chemical Engineering and Processing: Process Intensification, vol. 49, no. 4, pp. 313–322, 2010.
View at: Publisher Site | Google Scholar
G. Cevasco and C. Chiappe, “Are ionic liquids a proper solution to current environmental challenges?” Green Chemistry, vol. 16, no. 5, p. 2375, 2014.
View at: Publisher Site | Google Scholar
L. Dubois and D. Thomas, “Screening of aqueous amine-based solvents for postcombustion CO₂ capture by chemical absorption,” Chemical Engineering & Technology, vol. 35, no. 3, pp. 513–524, 2012.
View at: Publisher Site | Google Scholar
L. Espinal, D. L. Poster, W. Wong-Ng, A. J. Allen, and M. L. Green, “Measurement, standards, and data needs for CO₂ capture materials: a critical review,” Environmental Science & Technology, vol. 47, no. 21, pp. 11960–11975, 2013.
View at: Publisher Site | Google Scholar
D. C. Cantu, D. Malhotra, M. T. Nguyen et al., “Molecular-level overhaul of γ-aminopropyl aminosilicone/triethylene glycol post-combustion CO2-capture solvents,” Chemistry-Sustainability-Energy-Materials, vol. 13, p. 3429, 2020.
View at: Google Scholar
Y. Liu, H. Yu, Y. Sun et al., “Screening deep eutectic solvents for CO2 capture with COSMO-RS,” Frontiers in Chemistry, vol. 8, p. 82, 2020.
View at: Publisher Site | Google Scholar
X. Zhang, Z. Liu, and W. Wang, “Screening of ionic liquids to capture CO₂ by COSMO-RS and experiments,” AICHE Journal, vol. 54, no. 10, pp. 2717–2728, 2008.
View at: Publisher Site | Google Scholar
N. Islama, H. W. Khan, A. A. Gari, M. Yusuf, and K. Irshad, “Screening of ionic liquids as sustainable greener solvents for the capture of greenhouse gases using COSMO-RS approach: computational study,” Fuel, vol. 330, p. 125540, 2022.
View at: Publisher Site | Google Scholar
A. S. Khan, T. H. Ibrahima, Z. Rashid, M. I. Khamis, P. Nancarrowa, and N. A. Jabbar, “COSMO-RS based screening of ionic liquids for extraction of phenolic compounds from aqueous media,” Journal of Molecular Liquids, vol. 328, p. 115387, 2021.
View at: Publisher Site | Google Scholar
L. Jiriste and M. Klajmon, “Predicting the thermodynamics of ionic liquids: what to expect from PC-SAFT and COSMO-RS?” The Journal of Physical Chemistry B, vol. 126, no. 20, pp. 3717–3736, 2022.
View at: Publisher Site | Google Scholar
M. R. Islam and C. C. Chen, “COSMO-SAC sigma profile generation with conceptual segment concept,” Industrial & Engineering Chemistry Research, vol. 54, no. 16, pp. 4441–4454, 2015.
View at: Publisher Site | Google Scholar
G. Gonfa, M. A. Bustam, N. Muhammad, and A. S. Khan, “Evaluation of thermophysical properties of functionalized imidazolium thiocyanate based ionic liquids,” Industrial & Engineering Chemistry Research, vol. 54, no. 49, pp. 12428–12437, 2015.
View at: Publisher Site | Google Scholar
S. R. Motlagh, R. Harun, D. R. A. Biak, S. A. Hussain, R. Omar, and A. A. Elgharbawy, “COSMO-RS based prediction for alpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs),” Marine Drugs, vol. 18, no. 2, p. 108, 2020.
View at: Publisher Site | Google Scholar
S. R. Motlagh, R. Harun, D. R. A. Biak et al., “Screening of suitable ionic liquids as green solvents for extraction of eicosapentaenoic acid (EPA) from microalgae biomass using COSMO-RS model,” Molecules, vol. 24, no. 4, p. 713, 2019.
View at: Publisher Site | Google Scholar
M. Gonzalez-Miquel, M. Talreja, A. L. Ethier et al., “COSMO-RS studies: Structure–property relationships for CO2 capture by reversible ionic liquids,” Industrial & Engineering Chemistry Research, vol. 51, p. 49, 2012.
View at: Publisher Site | Google Scholar
T. Banerjee, M. K. Singh, and A. Khanna, “Prediction of binary VLE for imidazolium based ionic liquid systems using COSMO-RS,” Industrial & Engineering Chemistry Research, vol. 45, no. 9, pp. 3207–3219, 2006.
View at: Publisher Site | Google Scholar
H. G. T. Nguyen, C. M. Sims, B. Toman et al., “A reference high-pressure CH₄ adsorption isotherm for zeolite Y: results of an interlaboratory study,” Adsorption, vol. 26, no. 8, pp. 1253–1266, 2020.
View at: Publisher Site | Google Scholar
T. Zhou, L. Chen, Y. Ye et al., “An overview of mutual solubility of ionic liquids and water predicted by COSMO-RS,” Industrial & Engineering Chemistry Research, vol. 51, no. 17, pp. 6256–6264, 2012.
View at: Publisher Site | Google Scholar
M. Mohan, J. D. Keasling, B. A. Simmons, and S. Singh, “In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic,” Green Chemistry, vol. 24, no. 10, pp. 4140–4152, 2022.
View at: Publisher Site | Google Scholar
Q. G. Zhang, N. N. Wang, S. L. Wang, and Z. W. Yu, “Hydrogen bonding behaviors of binary systems containing the ionic liquid 1-butyl-3-methylimidazolium trifluoroacetate and water/methanol,” Journal of Physical Chemistry B, vol. 115, no. 38, pp. 11127–11136, 2011.
View at: Publisher Site | Google Scholar
H. Li and J. Yan, “Evaluating cubic equations of state for calculation of vapor–liquid equilibrium of CO₂ and CO₂-mixtures for CO₂ capture and storage processes,” Applied Energy, vol. 86, no. 6, pp. 826–836, 2009.
View at: Publisher Site | Google Scholar
E. Wang, Z. Y. Sui, Y. N. Sun, Z. Ma, and B. H. Han, “Effect of porosity parameters and surface chemistry on carbon dioxide adsorption in sulfur-doped porous carbons,” Langmuir, vol. 34, no. 22, pp. 6358–6366, 2018.
View at: Publisher Site | Google Scholar
M. Atilhan, B. Anaya, R. Ullah, L. T. Costa, and S. Aparicio, “Double salt ionic liquids based on ammonium cations and their application for CO₂ capture,” Journal of Physical Chemistry C, vol. 120, no. 31, pp. 17829–17844, 2016.
View at: Publisher Site | Google Scholar
F. Blanchard, B. Carré, F. Bonhomme, P. Biensan, and D. Lemordant, “A fibre-optic biosensor for detection of microbial contamination,” Canadian Journal of Chemistry, vol. 81, no. 5, pp. 339–349, 2003.
View at: Publisher Site | Google Scholar

Copyright

Copyright © 2023 Sami-ullah Rather et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

PDF Download Citation

Download other formats

Order printed copies