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Filippov, A., Bhattacharyya, S. & Shah, F. U. (2019). CO2 absorption and ion mobility in aqueous choline-based ionic liquids. Journal of Molecular Liquids, 276, 748-752
Open this publication in new window or tab >>CO2 absorption and ion mobility in aqueous choline-based ionic liquids
2019 (English)In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 276, p. 748-752Article in journal (Refereed) Published
Abstract [en]

CO2 absorption and ion mobility are investigated in a series of 50/50 wt% aqueous solutions of choline-based ionic liquids with different cations and anions: [N1,1,4,2OH][Threo], [N1,1,5,2OH][Threo], [N1,1,6,2OH][Threo], [N1,1,5,2OH][β-ala] and [N1,1,5,2OH][Tau]. The process of CO2 absorption was completed in an hour reaching maximum of absorption capacity 0.07–0.10 wt% to ionic liquid (by 0.4–0.6 molar ratios). A rapid CO2 absorption is observed by the formation of solid product as a result of reaction between CO2 molecule and the ionic liquid. Diffusion coefficients of the cation and anion in the mixture are comparable while the diffusivity of water molecules is found to be quite different from the ions. In the process of CO2 absorption, an increase in the diffusivity of ions is observed due to the precipitation of solid products and depletion of ions contents in the liquid phase of the system. 13C NMR measurements of diffusivity of CO2 enriched with 13C isotope showed that a part of the absorbed CO2 remained in the liquid phase being physically and chemically bound to ions. The ionic liquid is re-cycled by evaporating water and releasing CO2 molecules using vacuum and temperature.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Ionic liquids, CO2 absorption, Nuclear magnetic resonance, Diffusivity of ions, Phase transformations
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-72056 (URN)10.1016/j.molliq.2018.12.045 (DOI)000459528600083 ()2-s2.0-85058405735 (Scopus ID)
Note

Validerad;2019;Nivå 2;2019-01-03 (svasva)

Available from: 2018-12-16 Created: 2018-12-16 Last updated: 2019-04-12Bibliographically approved
Filippov, A., Azancheev, N., Gibaydullin, A., Bhattacharyya, S., Antzutkin, O. N. & Shah, F. U. (2018). Dynamic Properties of Imidazolium Orthoborate Ionic Liquids Mixed with Polyethylene Glycol Studied by NMR Diffusometry and Impedance Spectroscopy. Magnetic Resonance in Chemistry, 56(2), 113-119
Open this publication in new window or tab >>Dynamic Properties of Imidazolium Orthoborate Ionic Liquids Mixed with Polyethylene Glycol Studied by NMR Diffusometry and Impedance Spectroscopy
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2018 (English)In: Magnetic Resonance in Chemistry, ISSN 0749-1581, E-ISSN 1097-458X, Vol. 56, no 2, p. 113-119Article in journal (Refereed) Published
Abstract [en]

We used 1H pulsed field gradient (PFG) NMR to study the self-diffusion of polyethylene glycol (PEG) with average molecular mass of 200 and ions in mixtures of PEG with imidazolium bis(mandelato)borate (BMB) and imidazolium bis(oxalato)borate (BOB) ionic liquids (ILs). The ionic liquid was mixed with PEG in the concentration range of 0–100 wt%. Within the temperature range of 295 to 353 K, the diffusion coefficient of BMB is slower than that of the imidazolium cation. The diffusion coefficients of PEG, as well as the imidazolium cation and BMB anions, differ under all experimental conditions tested. This demonstrates that the IL in the mixture is present in at least a partially dissociated state. Generally, increasing the concentration of PEG leads to an increase in the diffusion coefficients of PEG and both the ions, and decreases their activation energy for diffusion. NMR chemical shift alteration analysis showed that the presence of PEG changes the chemical shifts of both ions but in different directions. Impedance spectroscopy was used to measure the ionic conductivity of the ionic liquids mixed with PEG.

Place, publisher, year, edition, pages
John Wiley & Sons, 2018
National Category
Chemical Sciences Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-64929 (URN)10.1002/mrc.4636 (DOI)000419519200009 ()28752526 (PubMedID)2-s2.0-85040248332 (Scopus ID)
Note

Validerad;2018;Nivå 2;2018-01-09 (svasva)

Available from: 2017-07-31 Created: 2017-07-31 Last updated: 2018-12-14Bibliographically approved
Khan, A. S., Man, Z., Bustam, M. A., Nasrullah, A., Ullah, Z., Sarwono, A., . . . Muhammad, N. (2018). Efficient Conversion of Lignocellulosic Biomass to Levulinic Acid Using Acidic Ionic Liquids. Carbohydrate Polymers, 181, 208-214
Open this publication in new window or tab >>Efficient Conversion of Lignocellulosic Biomass to Levulinic Acid Using Acidic Ionic Liquids
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2018 (English)In: Carbohydrate Polymers, ISSN 0144-8617, E-ISSN 1879-1344, Vol. 181, p. 208-214Article in journal (Refereed) Published
Abstract [en]

In the present research work, dicationic ionic liquids, containing 1,1-Bis(3-methylimidazolium-1-yl) butylene ([C4(Mim)2]) cation with counter anions [(2HSO4)(H2SO4)0], [(2HSO4)(H2SO4)2] and [(2HSO4)(H2SO4)4] were synthesised. ILs structures were confirmed using 1H NMR spectroscopy. Thermal stability, Hammett acidity, density and viscosity of ILs were determined. Various types of lignocellulosic biomass such as rubber wood, palm oil frond, bamboo and rice husk were converted into LA. Among the synthesized ionic liquids, [C4(Mim)2][(2HSO4)(H2SO4)4] showed higher % yield of LA up to 47.52 from bamboo biomass at 100 °C for 60 min, which is the better yield at low temperature and short time compared to previous reports. Surface morphology, surface functional groups and thermal stability of bamboo before and after conversion into LA were studied using SEM, FTIR and TGA analysis, respectively. This one-pot production of levulinic acid from agro-waste will open new opportunity for the conversion of sustainable biomass resources into valuable chemicals.

Place, publisher, year, edition, pages
Elsevier, 2018
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-66250 (URN)10.1016/j.carbpol.2017.10.064 (DOI)000418661000026 ()29253965 (PubMedID)2-s2.0-85032002177 (Scopus ID)
Note

Validerad;2017;Nivå 2;2017-11-01 (andbra)

Available from: 2017-10-25 Created: 2017-10-25 Last updated: 2018-01-15Bibliographically approved
An, R., Zhou, G., Zhu, Y., Zhu, W., Huang, L. & Shah, F. U. (2018). Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence. Advanced Materials Interfaces, 5(14), Article ID 1800266.
Open this publication in new window or tab >>Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence
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2018 (English)In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800266Article in journal (Refereed) Published
Abstract [en]

Structural reorientation of alkyl chains in the phosphonium cation of orthoborate ionic liquid mixed with glycol ether occurs with increasing normal load of the AFM tip. The flat reoriented structure, similar to the ‘blooming lotus leaf’, produces a new sliding interface that is responsible for the observed lower friction at higher loads. This work is reported by Rong An, Liangliang Huang, Faiz Ullah Shah and co‐workers in article number 1800263.

Place, publisher, year, edition, pages
John Wiley & Sons, 2018
National Category
Chemical Sciences Physical Chemistry
Research subject
Chemistry of Interfaces; Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-70453 (URN)10.1002/admi.201870066 (DOI)
Available from: 2018-08-16 Created: 2018-08-16 Last updated: 2018-08-16Bibliographically approved
An, R., Zhou, G., Zhu, Y., Zhu, W., Huang, L. & Shah, F. U. (2018). Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence. Advanced Materials Interfaces, 5(14), Article ID 1800263.
Open this publication in new window or tab >>Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence
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2018 (English)In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800263Article in journal (Refereed) Published
Abstract [en]

The atomic force microscopy experiments and nonequilibrium molecular dynamics (NEMD) simulations demonstrate a negative friction–load dependence to ionic liquid–glycol ether mixtures, that is, the friction decreases as the normal load increases. NEMD simulations reveal a structural reorientation of the studied ionic liquid (IL): as the normal load increases, the cation alkyl chains of ILs change the orientation to preferentially parallel to the tip scanning path. The flat‐oriented IL structures, similar to the “blooming lotus leaf,” produce a new sliding interface and reduce the friction. A further molecular dynamics simulation is carried out by adopting slit‐pore models to mimic the tip approaching process to confirm the dynamics of ILs. A faster diffusion of ILs in the smaller slit pore is observed. The faster diffusion of ILs in the more confined slit pore facilitates the structural reorientation of ILs. The resulted new sliding surface is responsible for the observed smaller friction at higher loads, also known as the negative friction–load dependence. These findings provide a fundamental explanation to the role of ILs in interfacial lubrications. They help to understand liquid flow properties under confinement, with implications for the development of better nanofluidic devices.

Place, publisher, year, edition, pages
John Wiley & Sons, 2018
National Category
Chemical Sciences Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-68631 (URN)10.1002/admi.201800263 (DOI)000439739000010 ()2-s2.0-85046361446 (Scopus ID)
Note

Validerad;2018;Nivå 2;2018-07-24 (inah)

Available from: 2018-05-04 Created: 2018-05-04 Last updated: 2018-08-21Bibliographically approved
Shah, F. U., Holmgren, A., Rutland, M. W., Glavatskih, S. & Antzutkin, O. (2018). Interfacial Behavior of Orthoborate Ionic Liquids at Inorganic Oxide Surfaces Probed by NMR, IR and Raman Spectroscopy. The Journal of Physical Chemistry C, 122(34), 19687-19698
Open this publication in new window or tab >>Interfacial Behavior of Orthoborate Ionic Liquids at Inorganic Oxide Surfaces Probed by NMR, IR and Raman Spectroscopy
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2018 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 122, no 34, p. 19687-19698Article in journal (Refereed) Published
Abstract [en]

Absorption modes and reactivity of non-halogenated ionic liquids (ILs) at inorganic oxide surfaces of γ-Al2O3, MgO and SiO2 particles were characterized using multinuclear (11B, 31P and 29Si) solid-state magic-angle-spinning NMR, FTIR and Raman spectroscopy. ILs are composed of the trihexyl(tetradecyl)phosphonium cation, [P6,6,6,14]+, and bis(mandelato)borate, [BMB]-, or bis(salicylato)borate, [BScB]-, anions. Spectroscopic measurements were performed on room temperature (298 K) samples and samples exposed to 15 hours of heating at 373 K. The single pulse 11B NMR data of heated [P6,6,6,14][BMB] mixed with the inorganic oxides showed a significant change in spectra of the anion for all three oxides. In contrast, no such spectral changes were detected for heated [P6,6,6,14][BScB] mixed with the inorganic oxides. 31P MAS NMR data for the IL/metal oxide systems revealed interactions between [P6,6,6,14]+ and the surfaces of oxides. A significant intensity of 31P CP-MAS NMR signals indicated a low mobility of cations in these systems. The existence of strongly adhered surface layers of ILs on SiO2 particles was also confirmed by 1H-29Si CP-MAS NMR spectroscopy. FTIR and Raman spectroscopic data revealed strong interactions between the anions and the inorganic surfaces and there is strong correlation with the data obtained from NMR spectroscopy. Although their chemical structures are rather similar, the [BScB]- anion is more stable than the [BMB]- anion at the inorganic oxide surface.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018
National Category
Physical Chemistry Chemical Process Engineering
Research subject
Chemistry of Interfaces; Chemical Technology
Identifiers
urn:nbn:se:ltu:diva-70194 (URN)10.1021/acs.jpcc.8b06049 (DOI)000443923500041 ()2-s2.0-85052316588 (Scopus ID)
Note

Validerad;2018;Nivå 2;2018-10-05 (johcin)

Available from: 2018-08-01 Created: 2018-08-01 Last updated: 2018-12-14Bibliographically approved
Bhattacharyya, S. & Shah, F. U. (2018). Thermal stability of choline based amino acid ionic liquids. Journal of Molecular Liquids, 266, 597-602
Open this publication in new window or tab >>Thermal stability of choline based amino acid ionic liquids
2018 (English)In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 266, p. 597-602Article in journal (Refereed) Published
Abstract [en]

Thermal stability of different choline based amino acid ionic liquids were studied. Both short term as well as long term thermal studies were carried out. Long term thermal studies of all ILs were carried out by isothermal TGA and short term thermal studies were measured by temperature ramped TGA. Isothermal TGA were studied at two different temperatures 100 °C and 150 °C for 500 min. Whereas, short term thermal stability represents as T2%, T5% and T10% which are the temperature at which 2%, 5% and 10% mass loss of ILs were observed. The effect of alkyl side chain on the cation, etherification of the cation as well structural variation of anion on the thermal stability of choline based ILs were investigated. It was observed that thermal characteristics of ILs towards temperature ramped TGA were different compared to isothermal TGA.

Place, publisher, year, edition, pages
Elsevier, 2018
National Category
Other Chemistry Topics Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-69864 (URN)10.1016/j.molliq.2018.06.096 (DOI)2-s2.0-85049427213 (Scopus ID)
Note

Validerad;2018;Nivå 2;2018-08-02 (rokbeg)

Available from: 2018-06-25 Created: 2018-06-25 Last updated: 2018-12-14Bibliographically approved
Bhattacharyya, S., Filippov, A. & Shah, F. U. (2017). High CO2 absorption capacity by chemisorption at cations and anions in choline-based ionic liquids. Physical Chemistry, Chemical Physics - PCCP, 19(46), 31216-31226
Open this publication in new window or tab >>High CO2 absorption capacity by chemisorption at cations and anions in choline-based ionic liquids
2017 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 46, p. 31216-31226Article in journal (Refereed) Published
Abstract [en]

The effect of CO2 absorption on the aromaticity and hydrogen bonding in ionic liquids is investigated. Five different ionic liquids with choline based cations and aprotic N-heterocyclic anions were synthesized. Purity and structures of the synthesized ionic liquids were characterized by 1H and 13C NMR spectroscopy. CO2 capture performance was studied at 20 °C and 40 °C under three different pressures (1, 3, 6 bar). The IL [N1,1,6,2OH][4-Triz] showed the highest CO2 capture capacity (28.6 wt%, 1.57 mol of CO2 per mol of the IL, 6.48 mol of CO2 per kg of the ionic liquid) at 20 °C and 1 bar. The high CO2 capture capacity of the [N1,1,6,2OH][4-Triz] IL is due to the formation of carbonic acid (–OCO2H) together with carbamate by participation of the –OH group of the [N1,1,6,2OH]+ cation in the CO2 capture process. The structure of the adduct formed by CO2 reaction with the IL [N1,1,6,2OH][4-Triz] was probed by using IR, 13C NMR and 1H–13C HMBC NMR experiments utilizing 13C labeled CO2 gas. 1H and 13C PFG NMR studies were performed before and after CO2 absorption to explore the effect of cation–anion structures on the microscopic ion dynamics in ILs. The ionic mobility was significantly increased after CO2 reaction due to lowering of aromaticity in the case of ILs with aromatic N-heterocyclic anions.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
National Category
Chemical Sciences Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-66453 (URN)10.1039/C7CP07059D (DOI)000416425400023 ()29143022 (PubMedID)2-s2.0-85036626114 (Scopus ID)
Note

Validerad;2017;Nivå 2;2017-12-01 (rokbeg)

Available from: 2017-11-07 Created: 2017-11-07 Last updated: 2017-12-19Bibliographically approved
Shah, F. U., Oleg, G. & Filippov, A. (2017). Ion dynamics in halogen-free phosphonium bis(salicylato)borate ionic liquid electrolytes for lithium-ion batteries. Physical Chemistry, Chemical Physics - PCCP, 19(25), 16721-16730
Open this publication in new window or tab >>Ion dynamics in halogen-free phosphonium bis(salicylato)borate ionic liquid electrolytes for lithium-ion batteries
2017 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 25, p. 16721-16730Article in journal (Refereed) Published
Abstract [en]

This study was focused on the investigation of ion dynamics in halogen-free, hydrophobic, and hydrolytically stable phosphonium bis(salicylato)borate [P4,4,4,8][BScB] ionic liquid electrolytes for lithium-ion batteries. The structure and purity of the synthesized ionic liquid and lithium bis(salicylato)borate Li[BScB] salt were characterized using 1H, 13C, 31P, and 11B NMR spectroscopy. The Li[BScB] salt was mixed with an ionic liquid at the concentrations ranging from 2.5 mol% to 20 mol%. The physicochemical properties of the resulting electrolytes were characterized using thermal analysis (TGA and DSC), electrical impedance spectroscopy, and pulsed-field gradient (PFG) NMR and ATR-FTIR spectroscopy. The apparent transfer numbers of the individual ions were calculated from the diffusion coefficients of the cation and anion as determined via the PFG NMR spectroscopy. NMR and ATR-FTIR spectroscopic techniques revealed dynamic interactions between the lithium cation and bis(salicylato)borate anion in the electrolytes. The ion–ion interactions were found to increase with the increasing concentration of the Li[BScB] salt, which resulted in ionic clustering at the concentrations higher than 15 mol% of Li salt in the ionic liquid.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-63622 (URN)10.1039/C7CP02722B (DOI)000404530600045 ()28621370 (PubMedID)2-s2.0-85021881483 (Scopus ID)
Note

Validerad;2017;Nivå 2;2017-08-11 (rokbeg)

Available from: 2017-05-30 Created: 2017-05-30 Last updated: 2018-07-10Bibliographically approved
Shimpi, M., Velaga, S., Shah, F. U. & Antzutkin, O. (2017). Pharmaceutical Crystal Engineering Using Ionic Liquid Anion–Solute Interactions. Crystal Growth & Design, 17(4), 1729-1734
Open this publication in new window or tab >>Pharmaceutical Crystal Engineering Using Ionic Liquid Anion–Solute Interactions
2017 (English)In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 17, no 4, p. 1729-1734Article in journal (Refereed) Published
Abstract [en]

The main purpose of this work was to investigate the potential of ionic liquids (ILs) in crystal engineering. We have employed ILs with different combinations of cations and anions to study their role in directing crystal structure formation of a nicotinamide (NIC) and oxalic acid (OXA) system. A new crystal form of NIC–OXA salt (2:1) was identified and characterized using standard solid state tools such as powder X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, and Raman and infrared spectroscopy. The crystal structure of the 2:1 salt was elucidated using single-crystal X-ray diffraction. The NIC–OXA 2:1 salt form revealed a two-dimensional layered structure, while the known 1:1 salt had a perpendicular “tape-like” structure. The 2:1 salt form could only be crystallized from the ILs possessing hydrogen bond acceptor functionality. We demonstrated that specific ILs could be selected as solvents for altering the solid-state structure of organic and inorganic materials.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2017
National Category
Physical Chemistry Other Health Sciences
Research subject
Chemistry of Interfaces; Health Science
Identifiers
urn:nbn:se:ltu:diva-62372 (URN)10.1021/acs.cgd.6b01698 (DOI)000398884400035 ()2-s2.0-85017106217 (Scopus ID)
Note

Validerad; 2017; Nivå 2; 2017-04-06 (rokbeg)

Available from: 2017-03-09 Created: 2017-03-09 Last updated: 2018-12-14Bibliographically approved
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