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Publications (10 of 11) Show all publications
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 and 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 and 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
Funder
Bio4Energy
Available from: 2020-01-14 Created: 2020-01-14 Last updated: 2023-03-24Bibliographically 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)2-s2.0-85078456927 (Scopus ID)
Projects
Bio4Energy
Funder
Bio4Energy
Available from: 2019-12-19 Created: 2019-12-19 Last updated: 2023-03-23Bibliographically approved
Shukla, S. K. & Mikkola, J.-P. (2020). Melting point of ionic liquids. In: Suojiang Zhang (Ed.), Encyclopedia of ionic liquids: (pp. 1-9). Singapore: Springer
Open this publication in new window or tab >>Melting point of ionic liquids
2020 (English)In: Encyclopedia of ionic liquids / [ed] Suojiang Zhang, Singapore: Springer, 2020, p. 1-9Chapter in book (Other academic)
Place, publisher, year, edition, pages
Singapore: Springer, 2020
National Category
Physical Chemistry Inorganic Chemistry Metallurgy and Metallic Materials Materials Chemistry Theoretical Chemistry
Identifiers
urn:nbn:se:umu:diva-174772 (URN)10.1007/978-981-10-6739-6_109-1 (DOI)9789811067396 (ISBN)
Projects
Bio4Energy
Funder
Bio4Energy
Available from: 2020-09-07 Created: 2020-09-07 Last updated: 2020-09-07Bibliographically approved
Shukla, S. K. & Mikkola, J.-P. (2020). Use of Ionic Liquids in Protein and DNA Chemistry. Frontiers in Chemistry, 8, 1-23, Article ID 598662.
Open this publication in new window or tab >>Use of Ionic Liquids in Protein and DNA Chemistry
2020 (English)In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 8, p. 1-23, article id 598662Article, review/survey (Refereed) Published
Abstract [en]

Ionic liquids (ILs) have been receiving much attention as solvents in various areas of biochemistry because of their various beneficial properties over the volatile solvents and ILs availability in myriad variants (perhaps as many as 10(8)) owing to the possibility of paring one cation with several anions and vice-versa as well as formulations as zwitterions. Their potential as solvents lies in their tendency to offer both directional and non-directional forces toward a solute molecule. Because of these forces, ionic liquids easily undergo intermolecular interactions with a range of polar/non-polar solutes, including biomolecules such as proteins and DNA. The interaction of genomic species in aqueous/non-aqueous states assists in unraveling their structure and functioning, which have implications in various biomedical applications. The charge density of ionic liquids renders them hydrophilic and hydrophobic, which retain intact over long-range of temperatures. Their ability in stabilizing or destabilizing the 3D-structure of a protein or the double-helical structure of DNA has been assessed superior to the water and volatile organic solvents. The aptitude of an ion in influencing the structure and stability of a native protein depends on their ranking in the Hofmeister series. However, at several instances, a reverse Hofmeister ordering of ions and specific ion-solute interaction has been observed. The capability of an ionic liquid in terms of the tendency to promote the coiling/uncoiling of DNA structure is noted to rely on the basicity, electrostatic interaction, and hydrophobicity of the ionic liquid in question. Any change in the DNA's double-helical structure reflects a change in its melting temperature (T-m), compared to a standard buffer solution. These changes in DNA structure have implications in biosensor design and targeted drug-delivery in biomedical applications. In the current review, we have attempted to highlight various aspects of ionic liquids that influence the structure and properties of proteins and DNA. In short, the review will address the issues related to the origin and strength of intermolecular interactions, the effect of structural components, their nature, and the influence of temperature, pH, and additives on them.

Place, publisher, year, edition, pages
Frontiers Media S.A., 2020
Keywords
ionic liquid (IL), DNA, protein, Hofmeister series, intermolecular interaction, circular dichroism, double-helical structure, salting phenomenon
National Category
Physical Chemistry
Identifiers
urn:nbn:se:umu:diva-179517 (URN)10.3389/fchem.2020.598662 (DOI)000605957000001 ()33425856 (PubMedID)2-s2.0-85099158314 (Scopus ID)
Available from: 2021-02-05 Created: 2021-02-05 Last updated: 2023-03-23Bibliographically 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 ()2-s2.0-85064233212 (Scopus ID)
Available from: 2019-03-22 Created: 2019-03-22 Last updated: 2023-03-23Bibliographically 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 ()2-s2.0-85060809406 (Scopus ID)
Projects
Bio4Energy
Funder
Bio4Energy
Available from: 2019-01-02 Created: 2019-01-02 Last updated: 2023-03-24Bibliographically 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 ()2-s2.0-85063957365 (Scopus ID)
Projects
Bio4Energy
Funder
Bio4Energy
Available from: 2019-03-06 Created: 2019-03-06 Last updated: 2023-03-23Bibliographically approved
Shukla, S. K. & Mikkola, J.-P. (2018). How strong are the intermolecular interactions upon determination of carbon dioxide capture in deep-eutectic solvents?. In: 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018: . Paper presented at 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, 25-29 August, 2018, Prague, Czech Republic (pp. 154-155). Czech Society of Chemical Engineering
Open this publication in new window or tab >>How strong are the intermolecular interactions upon determination of carbon dioxide capture in deep-eutectic solvents?
2018 (English)In: 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, Czech Society of Chemical Engineering , 2018, p. 154-155Conference paper, Published paper (Refereed)
Place, publisher, year, edition, pages
Czech Society of Chemical Engineering, 2018
National Category
Organic Chemistry
Identifiers
urn:nbn:se:umu:diva-203036 (URN)2-s2.0-85084826627 (Scopus ID)9781510881198 (ISBN)
Conference
23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, 25-29 August, 2018, Prague, Czech Republic
Available from: 2023-01-16 Created: 2023-01-16 Last updated: 2023-01-16Bibliographically 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)2-s2.0-85054380227 (Scopus ID)
Projects
Bio4Energy
Funder
Bio4Energy
Available from: 2018-09-11 Created: 2018-09-11 Last updated: 2023-03-24Bibliographically approved
Bui, T. Q., Khokarale, S. G., Shukla, S. K. & Mikkola, J.-P. (2018). Switchable aqueous pentaethylenehexamine for CO2 capture and beyond. In: 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018: . Paper presented at 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, 25-29 August, 2018, Prague, Czech Republic (pp. 143-144). Czech Society of Chemical Engineering
Open this publication in new window or tab >>Switchable aqueous pentaethylenehexamine for CO2 capture and beyond
2018 (English)In: 23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, Czech Society of Chemical Engineering , 2018, p. 143-144Conference paper, Published paper (Refereed)
Place, publisher, year, edition, pages
Czech Society of Chemical Engineering, 2018
National Category
Organic Chemistry
Identifiers
urn:nbn:se:umu:diva-203037 (URN)2-s2.0-85084844290 (Scopus ID)9781510881198 (ISBN)
Conference
23rd International Congress of Chemical and Process Engineering, CHISA 2018 and 21st Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2018, 25-29 August, 2018, Prague, Czech Republic
Available from: 2023-01-16 Created: 2023-01-16 Last updated: 2023-01-16Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-7102-5198

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