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Ma, C., Shukla, S. K., Samikannu, R., Mikkola, J.-P. & Ji, X. (2020). CO2 Separation by a Series of Aqueous Morpholinium-Based Ionic Liquids with Acetate Anions. ACS Sustainable Chemistry & Engineering, 8(1), 415-426
Open this publication in new window or tab >>CO2 Separation by a Series of Aqueous Morpholinium-Based Ionic Liquids with Acetate Anions
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2020 (English)In: ACS Sustainable Chemistry & Engineering, E-ISSN 2168-0485, Vol. 8, no 1, p. 415-426Article in journal (Refereed) Published
Abstract [en]

In this work, CO2 absorption capacities in a series of aqueous N-alkyl-N-methylmorpholinium-based ILs with acetate as the counterpart anion were investigated. Among these ILs, N-butyl-N-methylmorpholinium acetate ([Bmmorp][OAc]) with the highest CO2 absorption capacity was screened for thermodynamic modeling. The non-random two-liquid model and the Redlich–Kwong equation of state (NRTL-RK model) were used to describe the phase equilibria. The CH4 absorption capacity in the aqueous [Bmmorp][OAc] was also measured in order to verify the results predicted from the thermodynamic modeling, and the comparison shows the reliability of the model prediction. The parameters were embedded into the commercial software Aspen Plus. After that, the aqueous [Bmmorp][OAc] solutions with 30–40 wt % of water were selected to carry out process simulation for CO2 separation from biogas, and it was found that using these aqueous [Bmmorp][OAc] gave rise to lower energy usage and smaller size of equipment than other physical solvents. The results suggest that aqueous [Bmmorp][OAc] solution can be used as an alternative to organic solvents and has the potential to decrease the cost of CO2 separation.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2020
Keywords
CO2 separation, ionic liquids, thermodynamic modeling, process simulation
National Category
Water Engineering Other Physics Topics Physical Chemistry Applied Mechanics Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:umu:diva-167245 (URN)10.1021/acssuschemeng.9b05686 (DOI)000507429100047 ()2-s2.0-85076802998 (Scopus ID)
Projects
Bio4Energy
Available from: 2020-01-14 Created: 2020-01-14 Last updated: 2020-02-26Bibliographically approved
Shukla, S. K., Nikjoo, D. & Mikkola, J.-P. (2020). Is basicity the sole criterion for attaining high carbon dioxide capture in deep-eutectic solvents?. Physical Chemistry, Chemical Physics - PCCP, 22(3), 966-970
Open this publication in new window or tab >>Is basicity the sole criterion for attaining high carbon dioxide capture in deep-eutectic solvents?
2020 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 22, no 3, p. 966-970Article in journal (Refereed) Published
Abstract [en]

A critical analysis of the role of Hammett basicity (H−) and aqueous basicity (pKa) in CO2 uptake in deep-eutectic solvents (DESs) suggests that neither H− nor pKa correlates with the CO2 w/w% capacity in the studied DESs. Instead, strong “synergistic interactions” between donor and acceptor moieties satisfactorily relate to the w/w% of CO2 in DESs.

Place, publisher, year, edition, pages
The Royal Society of Chemistry, 2020
National Category
Other Environmental Engineering Energy Systems
Identifiers
urn:nbn:se:umu:diva-166621 (URN)10.1039/C9CP06017K (DOI)000509371400002 ()31848547 (PubMedID)
Projects
Bio4Energy
Available from: 2019-12-19 Created: 2019-12-19 Last updated: 2020-02-21Bibliographically approved
Shukla, S. K., Khokarale, S. G., Bui, T. Q. & Mikkola, J.-P. (2019). Ionic Liquids: Potential Materials for Carbon Dioxide Capture and Utilization. Frontiers in Materials, 6, Article ID 42.
Open this publication in new window or tab >>Ionic Liquids: Potential Materials for Carbon Dioxide Capture and Utilization
2019 (English)In: Frontiers in Materials, ISSN 2296-8016, Vol. 6, article id 42Article, review/survey (Refereed) Published
Abstract [en]

The nonvolatility, structure-tunability and high CO2 uptake capacity render ionic liquids (ILs) the most exciting materials for the carbon dioxide (CO2) capture and fixation to value-added chemicals. The aim of this mini-review is to give a brief idea about the development of the potential ILs for CO2 capture, the mechanism involved in the CO2 binding and the application of ILs in the conversion of CO2 to useful chemicals. The mechanisms and nature of interactions in between IL-CO2 have been discussed in terms of the nature of cation, anion, presence of functional group and the extent of interaction between the components of ILs. The fixation of CO2 to linear and cyclic carbonates and electroreduction of CO2 to carbon-rich fuels in ILs has been accounted in detail. At the end, future challenges in terms of commercializing the ILs for CO2 capture and utilization technology are discussed.

Place, publisher, year, edition, pages
Frontiers Media S.A., 2019
National Category
Other Chemistry Topics
Identifiers
urn:nbn:se:umu:diva-157480 (URN)10.3389/fmats.2019.00042 (DOI)000462456000001 ()
Available from: 2019-03-22 Created: 2019-03-22 Last updated: 2019-04-12Bibliographically approved
Samikannu, R., Shukla, S. K., Samikannu, A. & Mikkola, J.-P. (2019). Lutidinium-Based Ionic Liquids for Efficient Dissolution of Cellulose. New Journal of Chemistry, 43(5), 2299-2306
Open this publication in new window or tab >>Lutidinium-Based Ionic Liquids for Efficient Dissolution of Cellulose
2019 (English)In: New Journal of Chemistry, ISSN 1144-0546, E-ISSN 1369-9261, Vol. 43, no 5, p. 2299-2306Article in journal (Refereed) Published
Abstract [en]

Herein, we have studied the potential of lutidinium-based ILs (1-allyl-3,5-dimethylpyridinium chloride [3,5-ADMPy]Cl and 1-allyl-3,4-dimethylpyridinium chloride [3,4-ADMPy]Cl) in the dissolution of cellulose, and their structures were confirmed by 1H and 13C NMR spectra, respectively. [3,5-ADMPy]Cl exhibited the highest capacity in cellulose dissolution. In fact, it dissolved 20 wt% of cellulose within 12 min and 26 wt% of cellulose in 35 min at 118 °C. The crystallinity and morphology of native and regenerated cellulose were characterised by X-ray diffraction (XRD), scanning electron microscopy (SEM) and CP/MAS 13C NMR spectroscopy. These techniques clearly suggest that the crystallinity of cellulose is reduced upon treatment in lutidinium-based ILs. The thermogravimetric analysis (TGA) showed that regenerated cellulose had thermal stability close to that of native cellulose.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2019
Keywords
Cellulose dissolution, Ionic Liquids, X-ray diffraction, Cross polymerization/magic angle spinning C NMR, Thermogravimetric analysis, viscosity, scanning electron microscopy
National Category
Inorganic Chemistry
Identifiers
urn:nbn:se:umu:diva-154779 (URN)10.1039/C8NJ04698K (DOI)000459581000027 ()
Projects
Bio4Energy
Available from: 2019-01-02 Created: 2019-01-02 Last updated: 2019-08-29Bibliographically approved
Shukla, S. K. & Mikkola, J.-P. (2019). Unusual temperature-promoted carbon dioxide capture in deep-eutectic solvents: the synergistic interactions. Chemical Communications, 55(27), 3939-3942
Open this publication in new window or tab >>Unusual temperature-promoted carbon dioxide capture in deep-eutectic solvents: the synergistic interactions
2019 (English)In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 55, no 27, p. 3939-3942Article in journal (Refereed) Published
Abstract [en]

A series of novel ethylenediamine(EDA)-based deep-eutectic solvents (DESs) gave rise to unexpectedly large carbon dioxide (CO2) capturing capacity at higher temperatures owing to the “synergetic interaction” between the donor and acceptor moieties.

Place, publisher, year, edition, pages
Cambridge: Royal Society of Chemistry, 2019
National Category
Inorganic Chemistry
Identifiers
urn:nbn:se:umu:diva-157020 (URN)10.1039/C9CC00831D (DOI)000463952600017 ()
Projects
Bio4Energy
Available from: 2019-03-06 Created: 2019-03-06 Last updated: 2019-08-30Bibliographically approved
Shukla, S. K. & Mikkola, J.-P. (2018). Intermolecular interactions upon carbon dioxide capture in deep-eutectic solvents. Physical Chemistry, Chemical Physics - PCCP, 20, 24591-24601
Open this publication in new window or tab >>Intermolecular interactions upon carbon dioxide capture in deep-eutectic solvents
2018 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, p. 24591-24601Article in journal (Refereed) Published
Abstract [en]

Herein we report the CO2 uptake in potential deep-eutectic solvents (DESs) formed between hydrogen bond acceptors (HBAs) such as monoethanolammonium chloride ([MEA·Cl]), 1-methylimidazolium chloride ([HMIM·Cl]) and tetra-n-butylammonium bromide ([TBAB]) and hydrogen bond donors (HBDs) like ethylenediamine ([EDA]), diethylenetriamine ([DETA]), tetraethylenepentamine ([TEPA]), pentaethylenehexamine ([PEHA]), 3-amino-1-propanol ([AP]) and aminomethoxypropanol ([AMP]) and analyzed the outcome in terms of the specific polarity parameters. Among various combinations of HBAs and HBDs, [MEA·Cl][EDA]-, [MEA·Cl][AP]-, [HMIM·Cl][EDA]- and [HMIM·Cl][AP] showed excellent CO2 uptake which was further improved upon increasing the mole ratio of HBA : HBD from 1 : 1 to 1 : 4. The lowest CO2 uptake in [MEA·Cl][PEHA] (12.7 wt%) and [HMIM·Cl][PEHA] (8.4 wt%) despite the highest basicity of [PEHA] infers that the basicity is not the sole criteria for guiding the CO2 uptake but, in reality, CO2 capture in a DES relies on the interplay of H-bonding interactions between each HBA and HBD. The role of HBAs in guiding CO2 uptake was more prominent with weak HBDs such as [TEPA] and [PEHA]. The speciation of absorbed CO2 into carbamate, carbonate, and bicarbonate was favorable in DES characterized by comparable hydrogen bond donor acidity (α) and hydrogen bond acceptor basicity (β) values, whereas the conversion of carbamate to carbonate/bicarbonate was observed to depend on α. The addition of water in DES resulted in lower CO2 uptake due to the decreased basicity (β).

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2018
National Category
Organic Chemistry
Identifiers
urn:nbn:se:umu:diva-151739 (URN)10.1039/C8CP03724H (DOI)000449171800011 ()30229246 (PubMedID)
Projects
Bio4Energy
Available from: 2018-09-11 Created: 2018-09-11 Last updated: 2019-08-29Bibliographically approved
Bui, T. Q., Khokarale, S. G., Shukla, S. K. & Mikkola, J.-P. (2018). Switchable Aqueous Pentaethylenehexamine System for CO2 Capture: an Alternative Technology with Industrial Potential. ACS Sustainable Chemistry & Engineering, 6(8), 10395-10407
Open this publication in new window or tab >>Switchable Aqueous Pentaethylenehexamine System for CO2 Capture: an Alternative Technology with Industrial Potential
2018 (English)In: ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, Vol. 6, no 8, p. 10395-10407Article in journal (Refereed) Published
Abstract [en]

Herein we report the application of polyamine pentaethylenehexamine (PEHA, 3,6,9,12-tetraazatetradecane-1,14-diamine) in CO2 absorption with both neat PEHA and aqueous solutions thereof. The absorption of molecular CO2 in pure PEHA and in PEHA-water systems resulted in the formation of two chemical species, namely, PEHA carbamate and bicarbonate. It was observed that, upon formation of these species, both the CO2 absorption capacity and CO2 absorption rate were controlled by the amount of water in the system. During the CO2 absorption, the neat PEHA and 92 wt % PEHA were capable of forming carbamate species only while other aqueous analogues with higher dilution allowed for the formation of both carbamate and bicarbonate species upon exceeding 8 wt % water in the mixture. The CO2 uptake steadily increased with an increase in the water concentration in the solvent mixture and reached the maximum value of 0.25 g of CO2/(g of solvent) in the case of 56 wt % PEHA in water. However, in the case of more dilute systems (i.e., <56 wt % PEHA in water), the trend reversed and the CO2 loading decreased linearly to 0.05 g of CO2/(g of solvent) for 11 wt % PEHA in water. Meanwhile, it usually took shorter time to achieve the full CO2 absorption capacity (equilibrium) with increasing water content in all cases. The C-13 NMR analysis was used to quantify the relative amount of PEHA carbamate and bicarbonate, respectively, in reaction mixtures. The Kamle-Taft parameters (alpha, beta, and pi*) of aqueous solutions for different concentrations of PEHA were also studied taking advantage of various solvatochromic dyes and correlated with the CO2 absorption capacity. The thermally induced switchable nature of CO2-saturated neat and aqueous PEHA solutions for transformation of ionic PEHA carbamate and bicarbonate moieties to molecular PEHA is also represented. A comparison between aqueous PEHA and aqueous monoethanolamine (industrial solvent) for CO2 capture is reported. Hence, most importantly, a switchable PEHA system is demonstrated for reversible CO2 absorption processes.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018
Keywords
aqueous pentaethylenehexamine, PEHA, reversible CO2 capture, carbamate, bicarbonate, kamlet- ft parameters, regeneration
National Category
Physical Chemistry
Identifiers
urn:nbn:se:umu:diva-151562 (URN)10.1021/acssuschemeng.8b01758 (DOI)000441475500094 ()
Projects
Bio4Energy
Funder
Swedish Research Council, 2016-04090Knut and Alice Wallenberg FoundationBio4EnergyThe Kempe Foundations
Available from: 2018-09-10 Created: 2018-09-10 Last updated: 2019-08-29Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-7102-5198

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