Change search
Refine search result
1 - 35 of 35
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the Create feeds function.
  • 1.
    Arkhipov, Victor P.
    et al.
    Department of Physics, Kazan National Research Technological University, 420015, Kazan, Russian Federation.
    Arkhipov, Ruslan V.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russian Federation.
    Petrova, Ekaterina V.
    Department of Analytical Chemistry, Kazan National Research Technological University, 420015, Kazan, Russian Federation.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Abnormal diffusion behavior and aggregation of oxyethylated alkylphenols in aqueous solutions near their cloud point2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 358, article id 119203Article in journal (Refereed)
    Abstract [en]

    We have investigated solutions of oxyethylated alkylphenols (neonols) in a mixture of ordinary and heavy water with equal densities of the neonols and the aqueous mixture. The equal densities allow exclusion of sedimentation effects and study of the evolution of micelles and neonol aggregates in the range from room temperature to above the cloud point. The self-diffusion coefficients of neonols were measured by NMR and the effective hydrodynamic radii of micelles and neonol aggregates were calculated using the Stokes-Einstein relation. An abnormal decrease in neonols diffusion coefficients occurred when the system approached the cloud point, while an abnormal increase in the diffusion coefficients occurred at temperatures above the cloud point. We explained the abnormal temperature behavior of the diffusion coefficients of neonols by changes in the size of the diffusing objects from the spherical and spherocylindrical micelles to dehydrated aggregates and the destruction of micelles by thermal motion and by formation of aggregates with sizes of the order 102 nm at temperatures above the cloud point. Conclusions about the increase in the hydrodynamic radii of the micelles with increasing temperature up to the cloud point and about the formation of dehydrated aggregates above the cloud point are confirmed by the results of DLS studies.

  • 2.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Thermal stability of choline based amino acid ionic liquids2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 266, p. 597-602Article in journal (Refereed)
    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.

  • 3.
    Cao, Yingying
    et al.
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing, 100190 P.R. China; College of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049 P.R. China.
    Wu, Zhixing
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing, 100190 P.R. China; College of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049 P.R. China.
    Zhang, Ying
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing, 100190 P.R. China.
    Liu, Yanrong
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Wang, Hui
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing, 100190 P.R. China; College of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049 P.R. China.
    Screening of Alternative Solvent Ionic Liquids for Artemisinin: COSMO-RS Prediction and Experimental Verification2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 338, article id 116778Article in journal (Refereed)
    Abstract [en]

    Organic solvents are usually used to extract artemisinin from Artemisia annua L., and they can also be the solvents for the subsequent purification or derivatization to produce compounds with more efficient antimalarial effect. However, these solvents are volatile, explosive and toxic. The designable material ionic liquids (ILs) are alternative solvents to replace traditional ones. In this work, a reliable method for screening ILs with high solvation capability for artemisinin was developed. The infinite dilution activity coefficients of artemisinin in 903 ILs, composed by 43 cations and 21 anions, were calculated by COSMO-RS, and the results implied that the solubility of artemisinin in ILs mainly depends on the anions. Solubilities of artemisinin in 14 representative ILs were tested, and the results were in good accordance with those obtained in COSMO-RS calculation. The stability of artemisinin in some typical ILs was also studied, which indicated that this drug was stable in [EMIM][BF4], [EMIM][CF3Ac], [EMIM][NTF2], [BPY][NTF2], [EMIM][SCN], and [EMIM][Ac]. The excess enthalpy analysis demonstrated that artemisinin interacted with ILs mainly through hydrogen bond. Extraction of artemisinin using the optimal IL indicated that more artemisinin could be extracted from the leaves when compared with petroleum ether (254.73 mg/mol vs. 14.16 mg/mol), further verifying accuracy of the simulation results. Therefore, structures of ILs with high solvation capacity for artemisinin can be obtained by the COSMO-RS method.

  • 4.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Yang, Zhuhong
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Mass-transfer kinetics of CO2 in a hybrid choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water absorbent2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 336, article id 116383Article in journal (Refereed)
    Abstract [en]

    Understanding the mass-transfer kinetics of CO2 in novel hybrid absorbents with physical and chemical contributions is essential for process design and evaluation. In this study, the liquid-side mass-transfer coefficients (kL) and second-order reaction rate constants (k2) of CO2 in hybrid absorbents (namely, choline-2-pyrrolidine-carboxylic acid salt/polyethylene glycol/water ([Cho][Pro]/PEG200/H2O)) were determined. The kL values for the hybrid absorbents were obtained from the CO2 diffusion coefficients (DCO2) and the kL values in PEG200/H2O. The DCO2 value was calculated from the density and viscosity of the hybrid absorbents, whereas the kL values in PEG200/H2O were measured experimentally. The k2 values of CO2 in the hybrid absorbents were estimated according to the reaction mechanism, the enhancement factor, and the kL values, and compared with those of other commercialized absorbents. The results showed that 30 wt% [Cho][Pro]+70 wt% H2O had the highest kL and k2 values at atmospheric pressure, whereas the values of kL and k2 of CO2 in 30 wt% [Cho][Pro]/H2O+PEG200 were comparable to those in diethanolamine aqueous and amino-functionalized ILs. The hybrid absorbent of [Cho][Pro]/PEG200/H2O could be promising for CO2 separation considering its thermodynamic and kinetic properties.

  • 5.
    Fadaei Naeini, Vahid
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements. Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Björling, Marcus
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Larsson, Andreas
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Larsson, Roland
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Unraveling the pressure-viscosity behavior and shear thinning in glycerol using atomic scale molecular dynamics simulations2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 390, no part A, article id 122990Article in journal (Refereed)
    Abstract [en]

    In order to increase the usage and explore new applications of glycerol as a replacement for fossil-based lubricants its properties needs to be known at the fundamental level. In this study, the viscosity of pure glycerol at high pressures and strain rates has been investigated using of molecular dynamics (MD) simulations, utilizing both the Green-Kubo (GK) formalism and the SLLOD algorithm. Although the viscosity acquired by the GK method is in agreement with the corresponding experimental values at low pressure, a significant distinction was identified between the viscosity obtained by the GK method and the experimental values at higher pressures (P > 0.5 GPa). This results in a clear difference between the viscosity-pressure coefficient attained by the GK method and the corresponding experimental value. The SLLOD method using a non-equilibrium MD (NEMD) platform was exploited to take into account the simultaneous effects of strain rate and pressure on viscosity. As a result, the pressure-viscosity coefficient acquired by the SLLOD algorithm approaches the experimental value. By combining the experimental outputs for viscosity at low strain rates ( < 104 s−1) with the SLLOD outputs at higher rates ( > 105 s−1), the evolutions of glycerol viscosity with pressure and strain rate were ultimately achieved. Implementing this computational platform depicts the shear thinning process in pure glycerol in a wide range of pressures and strain rates.

    Download full text (pdf)
    fulltext
  • 6.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, 420012 Kazan, Russia.
    Alexandrov, Artem S.
    Kazan Federal University, 420008 Kazan, Russia.
    Gimatdinov, Rustam
    Kazan State Medical University, 420012 Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Unusual ion transport behaviour of ethylammonium nitrate mixed with lithium nitrate2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 340, article id 116841Article in journal (Refereed)
    Abstract [en]

    The diffusivity of ions and ionic conductivity of ethylammonium nitrate (EAN) mixed with lithium nitrate (LiNO3) has been carried out as a function of Li-salt concentration and temperature. An unusual behavior of ion diffusivities and ionic conductivities of the mixtures are observed over a range of Li-salt concentration and temperature. The diffusivities of EA+ and Li+, as measured by pulsed-field gradient (PFG) nuclear magnetic resonance (NMR) diffusometry, are found to be comparable in the lower temperature range. An overall decrease in the ion diffusivity is observed with an increase in the concentration of LiNO3. A lower degree of dissociation of ionic complexes in the presence lower concentration of the Li-salt (less than 6 mol. %) resulted in lower ionic conductivity. In the higher concentration range of Li-salt the Li+ diffusivity is monotonously decreased with an increase in the concentration. In the lower concentration range, the Li+ diffusivity exceeded the diffusivity of EA+ cation demonstrating the release of Li+ from the associates. Being enclosed between glass plates, the diffusivities of EA+ and Li+ showed peculiarities similar to the earlier observed results for neat nitrate ILs: accelerated diffusivity of cations and reversible alteration of diffusivities under the influence of strong static magnetic field.

  • 7.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, CV4 7AL Coventry, UK.
    Gimatdinov, Rustam
    Kazan State Medical University, Kazan, Russia.
    Gnezdilovd, Oleg I.
    Kazan Federal University, Kazan, Russia. Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center, Russian Academy of Sciences, Kazan, Russia.
    Self-diffusion in ionic liquids with nitrate anion: Effects of confinement between glass plates and static magnetic field2020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 312, article id 113404Article in journal (Refereed)
    Abstract [en]

    Alkylammonium nitrate protic ionic liquids (ILs), when placed between flat polar borosilicate glass plates, have demonstrated enhanced diffusivity and the gradual decrease of diffusivity after exposure to an external static magnetic field (Filippov et al., 2018). This phenomenon has been explained by phase transformations taking place in the ILs. In this study, we observed similar processes occurring in systems prepared with ethylammonium nitrate confined between quartz plates. A higher content of silicon oxide in the plates does not significantly alter the phenomenon previously found in the system prepared with borosilicate glass plates. For the first time, we have observed similar effects of confinement and magnetic field on the aprotic IL, 1‑ethyl‑3‑methylimidazolium nitrate. Substitution of the ethylammonium cation with a 1‑ethyl‑3‑methylimidazolium cation slows down the kinetics and increases magnitude of the processes occurring in the IL exposed to a magnetic field. We suggested that the main factor determining these effects is the presence and modification of the hydrogen-bonding network in the studied protic and aprotic ILs. The process of inverse phase transformation for the confined ethylammonium nitrate after removing the sample from the magnetic field was observed and analysed.

  • 8.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Arkhipov, Victor P.
    Department of Physics, Kazan National Research Technological University, 420015 Kazan, Russia.
    Gnezdilov, Oleg I.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Diffusivity of ethylammonium nitrate protic ionic liquid confined in porous glasses2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 356, article id 118998Article in journal (Refereed)
    Abstract [en]

    We studied the diffusion of ionic liquid ethylammonium nitrate confined within pores of two types of porous glass, Vycor and Varapor, with average pore sizes of 4 nm and 9.8 nm, respectively, by 1H NMR in the temperature range of 295–325 K. The diffusional behavior of the ionic liquid corresponds to long-term diffusion in a system of interconnected pores. It was shown that the diffusivity of EAN confined in Varapor is controlled by the porous system’s tortuosity and does need to take into consideration the interaction with the surface of the discrete pore walls. In the case of Vycor, the long-term diffusivity is a factor 1.5 lower than that expected in the absence of interaction with the pore walls. Two possible mechanisms that may explain this discrepancy are the EAN-surface interaction and retardation of EAN diffusion compared to n-decane in smaller pores present in Vycor porous glass due to pore size distribution. Confinement of EAN in nanoporous glass does not leads to the EAN phase transformation observed earlier for alkylammonium nitrates enclosed in a micrometer-sized layer. Prolonged exposure of EAN to a strong static magnetic field does not leads to changes in the NMR and diffusivity of EAN over time.

  • 9.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, UK.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Reactivity of CO2 with aqueous choline-based ionic liquids probed by solid-state NMR spectroscopy2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 286, article id 110918Article in journal (Refereed)
    Abstract [en]

    CO2 absorption in a series of choline-based ionic liquids is investigated using solid-state 13C and 15N MAS NMR spectroscopy. Natural abundance and 13C enriched CO2 gas was purged through 50 wt% aqueous solutions of alkyldimethyl(2-hydroxyethyl)ammonium threonine, [N1,1,n,2OH][Threo], (alkyl = butyl, pentyl and hexyl) and pentyldimethyl(2-hydroxyethyl)ammonium taurine [N1,1,5,2OH][Tau]. The process of CO2 absorption results in precipitation of a solid sediment, which stays in equilibrium with the liquid phase. Upon degassing of the sample, the sediment is dissolved back into the IL-aqueous phase. Solid state 13C and 15N MAS NMR data suggest that the solid sediment is composed of neutral threonine (or taurine) in the zwitterionic forms and the liquid phase contained the products of reactions between the ionic liquids and CO2 molecules. A plausible mechanism for formation of the solid sediments and the reaction products in liquid phases is suggested.

  • 10.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Russia.
    Bhattacharyya, Shubhankar
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    CO2 absorption and ion mobility in aqueous choline-based ionic liquids2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 276, p. 748-752Article in journal (Refereed)
    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.

  • 11.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, 420012 Kazan, Russia.
    Gimatdinov, Rustam
    Kazan State Medical University, 420012 Kazan, Russia.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry CV4 7AL, UK.
    Kuzina, Natalia A.
    Kazan National Research Technological University, 420015 Kazan, Russia.
    Gnezdilov, Oleg I.
    Kazan Federal University, 420008 Kazan, Russia.
    Effect of rotating magnetic field on the diffusivity of ethylammonium nitrate ionic liquid confined between micrometer-spaced glass plates2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 323, article id 115008Article in journal (Refereed)
    Abstract [en]

    We studied changes in the diffusion coefficients in layers of EAN confined between glass plates, placed in a strong magnetic field with a magnetic flux density B0, and rotated around the axis directed along and normal to B0. Under the rotational conditions along B0, the diffusion coefficient decreases with time after placement in the magnetic field at the same rate as for a static sample, observed previously (Filippov and Antzutkin, Phys. Chem. Chem. Phys. 2018. 20. 6316). However, when the EAN layers are rotating around the axis perpendicular to B0, the duration of exposure to the magnetic field does not affect the diffusion coefficient until the rotation stops. On the other hand, the diffusivity after extended exposure to a static magnetic field increases as the sample starts to rotate around the axis perpendicular to B0. The observed effects are due to either the periodic change in the orientation of the thin surface layers of EAN or inhomogeneity of B0 in the sample due to the B0 fluctuation.

  • 12.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University.
    Gnezdilov, Oleg I.
    Institute of Physics, Kazan Federal University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry.
    Static magnetic field alters properties of confined alkylammonium nitrate ionic liquids2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 268, p. 49-54Article in journal (Refereed)
    Abstract [en]

    Ethylammonium nitrate (EAN) and propylammonium nitrate (PAN) ionic liquids confined between polar glass plates and exposed to a strong magnetic field of 9.4 T demonstrate gradually slowing diffusivity, a process that can be reversed by removing the sample from the magnetic field. The process can be described well by the Avrami equation, which is typical for autocatalytic (particularly, nucleation controlled) processes. The transition can be stopped by freezing the sample. Cooling and heating investigations showed differences in the freezing and melting behavior of the sample depending on whether it had been exposed to the magnetic field. After exposure to the magnetic field, the sample demonstrated decrease in the 1H NMR signal of residual water. 1H NMR spectroscopy with presaturation demonstrates that the most probable mechanism of the decrease of the bulk water signal is adsorption of water on polar surfaces of glass plates. Generally, our findings confirm our previous suggestion that alteration of the dynamic properties of confined alkylammonium nitrate ionic liquids exposed to a magnetic field is related to the alteration of real physical-chemical phases

  • 13.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Gnezdilov, Oleg I.
    Kazan Federal University, Kazan, Russia. Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center, Russian Academy of Sciences, Kazan, Russia.
    Luchkin, Alexander G.
    Kazan Federal University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Self-diffusion of ethylammonium nitrate ionic liquid confined between modified polar glasses2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 284, p. 366-371Article in journal (Refereed)
    Abstract [en]

    Ethylammonium nitrate (EAN) ionic liquid confined between flat polar glass platesdemonstrates variable diffusivity that is sensitive to an external static magnetic field. Outside the magnetic field, diffusivity between the plates is higher than that in the bulk. However, after placing the system in a strong static magnetic field, the diffusivity gradually decreased. These processes occur during transformations between phases formed in EAN subjected to micrometer-size restrictions outside and within the magnetic field (Filippov et al., JMolLiq. [2018] 268, 49). In this study, we used samples of two types: (i) with roughened surface formed by treatment of the glass plates with aqueous solutions of hydrofluoric acid and (ii) with vacuum deposited TiO2 layers with a thickness of ca. 1 μm at glass-plate edges. Neither the surface modification of the glass plates, nor the TiO2 layers controlled thickness of EAN confined between glass-plates significantly changed the above-described effects, which have been observed in studies using untreated glass plates. Therefore, the range of systems with detected phase transformations in EAN and accompanying effects, such as accelerated diffusivity and change in diffusivity under the influence of a static magnetic field, was expanded to the systems with roughened surfaces and the systems with TiO2 layers controlled inter-plates distances. Results of experiments with roughened surfaces additionally suggested that the phase transformation of confined EAN in the external magnetic field is isotropic in nature rather than a phase transition from “layered to bulk” structures.

  • 14.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russian Federation.
    Kurakin, S.
    Institute of Physics, Kazan Federal University, Kazan, Russian Federation.
    Gnezdilov, O.I.
    Institute of Physics, Kazan Federal University, Kazan, Russian Federation.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, United Kingdom.
    Effect of magnetic field on diffusion of ethylammonium nitrate: water mixtures confined between polar glass plates2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 4, p. 45-51Article in journal (Refereed)
    Abstract [en]

    We used 1H NMR diffusometry to study mixtures of ethylammonium nitrate (EAN) with water (3.1–12.4 mol% of added H2O) confined between polar glass plates and exposed to a static magnetic field of 9.4 T. The presence of such restrictions reverses the concentration dependence of the diffusivities of the EA (ethylammonium) cation and water typical for the bulk system. The presence of water weakens the effects of a static magnetic field on diffusion of the EA cation as well as on proton exchange of –NH3 groups. Surprisingly, the amplitude of the echo signal of water protons decreases during exposure to the magnetic field and finally disappears, a phenomenon that depends on the concentration of water in the system. Based on experimental data, we suggest that water in the system is present in two states with different dynamic properties. One type of water formed in confinement possesses NMR relaxation time typical for liquids; its diffusivity can be measured by 1H NMR. The second type of water is formed upon exposure of the sample of the first type to the magnetic field and eventually includes all the water in the system. This type of water possesses “solid-like” NMR relaxation features that makes it “invisible” to the NMR diffusometry technique. We suggest that this second type of water is adsorbed onto the glass plates. Correspondingly, EAN exists in two liquid phases: the first one contains an EAN-water mixture, while the second one contains neat EAN, and forms on the microscopic scale range under the influence of a static magnetic field.

  • 15.
    Gao, Qingwei
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Wu, Nanhua
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Qin, Yao
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm, Sweden. Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry Aleea Grigore Ghica-Voda, Iasi, Romania.
    Zhu, Yudan
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Molecular insight into wetting behavior of deep eutectic solvent droplets on ionic substrates: A molecular dynamics study2020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 319, article id 114298Article in journal (Refereed)
    Abstract [en]

    Wetting behavior of droplets made of choline chloride/urea (1:2), an archetypal deep eutectic solvent mixture, is studied using molecular dynamics simulations. The droplets are placed on a smooth model ionic substrate with positive and negative charges of the same magnitude q (0 e ≤ q ≤ 1.0 e), corresponding to a step-by-step change from a hydrophobic to hydrophilic surface. The molecular microstructure of the droplets and their spatial compositions are systematically studied in details on how they both change while gradually moving from hydrophobic to hydrophilic surface. It is observed that urea initially forms a monolayer on the surface with a planar orientation. This layer slowly shrinks while it becomes laterally more and more constrained. It becomes also molecularly more ordered when the surface becomes hydrophilic, at the same time as the contact angles become larger and larger. The anions (Cl-) are continuously pushed further away from the charged surface. While the contact angle increases and wetting decreases, and urea forms even a secondary stable layer where it changes its orientation and turns to have one of its amines facing up and carbonyl down. The average number of urea-urea H-bonds decreases linearly while the number of ion-pair contacts increases when the urea molecules are separating from the mixture. Our analysis gives a clear molecular understanding of the process and can be useful in many applications from membrane separation to catalysis.

  • 16.
    Gnezdilov, Oleg I.
    et al.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Medical and Biological Physics, Kazan Medical University, 420012, Kazan, Russia.
    Khan, Inayat Ali
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Translational and reorientational dynamics of ionic liquid-based fluorine-free lithium-ion battery electrolytes2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 345, article id 117001Article in journal (Refereed)
    Abstract [en]

    The translational as well as reorientational mobilities of fluorine-free electrolytes prepared by mixing lithium furan-2-carboxylate Li(FuA) salt with tetra(n-butyl)phosphonium furan-2-carboxylate (P4444)(FuA) ionic liquid are thoroughly investigated. The diffusivity of ions and T1 relaxation of protons belonging to various chemical groups of (P4444)+ and (FuA) ions and the Li+ ion present in these electrolytes are measured as a function of lithium salt concentration and temperature. The temperature dependence of correlation time for reorientational mobility of various chemical groups of (P4444)+ and (FuA) ions and the Li+ ion are estimated and used in calculations temperature dependence of the corresponding reorientational rates. It is shown that an increase in the concentration of lithium salt leads to a decrease in both the diffusion coefficients and the reorientation rates for all the chemical groups in concerted way. Activation energy of the reorientational rates for different chemical groups of the organic ions and the Li+ are discussed in details.

  • 17.
    Gusain, Rashi
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Chemical Science Division, CSIR-Indian Institute of Petroleum, Dehradun.
    Panda, Somenath
    Department of Chemistry, Indian Institute of Technology Madras, Chennai.
    Bakshi, Paramjeet Singh
    Chemical Science Division, CSIR-Indian Institute of Petroleum, Dehradun.
    Gardas, Ramesh L.
    Department of Chemistry, Indian Institute of Technology Madras, Chennai.
    Khatri, Om Prakash
    Chemical Science Division, CSIR-Indian Institute of Petroleum, Dehradun.
    Thermophysical properties of trioctylalkylammonium bis(salicylato)borate ionic liquids: Effect of alkyl chain length2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 269, p. 540-546Article in journal (Refereed)
    Abstract [en]

    Thermophysical properties of halogen-free ionic liquids are gaining significant attention for industrial applications. In this context, trioctylalkylammonium bis(salicylato)borate (N888n-BScB) ionic liquids having variable alkyl chain length (n = 4, 8, 12, 16) are synthesized to explore the effect of chain length and temperature on their physicochemical properties. The density (ρ), refractive index (nD), and speed of sound (u) are measured in the temperature range of 293.15 to 333.15 K. The tetraoctylammonium-BScB is found to be highly dense ionic liquid, and it was attributed to the closer packing of symmetric structure of tetraoctylammonium cation. Furthermore, derived thermodynamic properties such as isentropic compressibility (βs), coefficient of thermal expansion (α), standard entropy (S°), intermolecular free length (Lf) and lattice energy (UPOT) are calculated for the N888n-BScB ionic liquids using the experimental data and shown the effect of variable chain length. This study provides a comprehensive insight on the thermophysical properties of halogen-free ionic liquids.

  • 18.
    Hua, Jing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Björling, Marcus
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Larsson, Roland
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Shi, Yijun
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Controllable superlubricity achieved with mixtures of green ionic liquid and glycerol aqueous solution via humidity2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 345, article id 117860Article in journal (Refereed)
    Abstract [en]

    In this work, superlubricity between steel surfaces lubricated by mixtures of [Choline][Proline] ([Cho][Pro]) ionic liquid and glycerol aqueous solution has been reached by using a rotating tribometer. Stable superlubricity could be obtained even under the humidity between 7 to 9% RH. The lowest friction is observed when the lubricant contains 3 wt.% ionic liquid. It is found that adding 3 wt.% [Cho][Pro] is helpful to maintain enough water in the steady period to retain a low viscosity. According to the calculation, the superlubricity achieved in thin film lubrication region, which is attributed to the stern layer formed by [Cho][Pro] and hydrogen-bond network that enabled a thin water layer at the interface. Interestingly, it is observed that humidity can be used to control lubrication state between superlubricity and non-superlubricity. This study provides a new method to accomplish switchable superlubricity under low humidity.

  • 19.
    Ilyas, Farva
    et al.
    Shanghai Electrochemical Energy Devices Research Center, School of Chemistry and Chemical Engineerin, Shanghai Jiao Tong University, Shanghai 200240, China.
    Ishaq, Muhammad
    Shanghai Electrochemical Energy Devices Research Center, School of Chemistry and Chemical Engineerin, Shanghai Jiao Tong University, Shanghai 200240, China.
    Jabeen, Maher
    Shanghai Electrochemical Energy Devices Research Center, School of Chemistry and Chemical Engineerin, Shanghai Jiao Tong University, Shanghai 200240, China.
    Saeed, Mohazzam
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Minerals and Metallurgical Engineering.
    Ihsan, Ayesha
    National Institute for Biotechnology and Genetic Engineering College, Institute of Engineering and Applied Sciences (NIBGE-C, PIEAS), Faisalabad 38000, Punjab, Pakistan.
    Ahmed, Mukhtiar
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Recent trends in the benign-by-design electrolytes for zinc batteries2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 343, article id 117606Article in journal (Refereed)
    Abstract [en]

    An electrolyte is a vital component that creates an avenue for zinc ions to migrate and forms a cathode–anode intermediary in zinc based battery system. Zinc metal is thermodynamically unstable and prone to dissolve in acidic aqueous solutions. Indeed, there are still a lot of issues with using a liquid electrolyte on a frequent basis. Given its intimate connection with the ionic conductivity and electrochemical stability window, the ionic liquids (ILs) and deep eutectic solvents (DESs) as ‘Designer electrolytes’ are investigated by controlling their components and structures to address the problems related to the reversible method of Zn plating/stripping, Zn anode stability, and cathode efficiency. Despite the great achievements, the field of ‘Ionic liquid surface science concerning zinc system’ is quite an infant, so investigating this interface is even more inconclusive. This review gives an overview of ILs energy storage applications by presenting both electrochemistry and mechanisms involved in zinc battery setup and the scope of employing DESs based electrolytes as prospects to boost the development of this field.

    Download full text (pdf)
    fulltext
  • 20.
    Liu, Yanrong
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Nie, Yi
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Pan, Fengjiao
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Zhou, Le
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Kang, Zhaoqing
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Zhang, Suojiang
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, PR China.
    Study on ionic liquid/cellulose/coagulator phase diagram and its application in green spinning process2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 289, article id 111127Article in journal (Refereed)
    Abstract [en]

    In this work, the cellulose phase separation behavior was investigated by using ionic liquids (ILs) as novel solvents to acquire a green process for cellulose fiber spinning. The cloud point titration method combined with the turbidity correlation equation was used to obtain the ternary diagram of IL/cellulose/coagulator throughout the whole compositional range. The effects of the type of ILs, the cellulose materials, the kind of coagulators and the regeneration temperatures for cellulose fiber manufacturing process on the phase separation behavior were studied systematically. It was found that the linearized cloud point (LCP) curve correlation fits to experimental data well and can be used to quantify the optimized coagulator, and among the studied cases, the system of [EMIM]DEP, cotton pulp and water with the regeneration temperature at 298.15 K is the best. Meanwhile, COSMO-RS was used to predict the interaction between solvent, cellulose and coagulator, and the comparison with the LCP correlation shows good agreement. The crystal structure of the regenerated cotton pulp was determined with XRD, and the result evidences that the crystal structure of the regenerated cellulose transforms from cellulose I to cellulose II. The crystallinity decreases from 96.0% (raw cotton pulp) to 85.6% after 24 h dissolution in [EMIM]DEP at 363.15 K, and it has a slight deviation from 24 h to 72 h, which illustrates that the spinning process can run continuously at 363.15 K when using [EMIM]DEP as the solvent.

    Download full text (pdf)
    fulltext
  • 21.
    Ma, Chunyan
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Wang, Yanxin
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, PR China.
    Sun, Yunhao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, PR China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Thermodynamic study of imidazolium halide ionic liquid–water binary systems using excess Gibbs free energy models2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 391, Part B, article id 123337Article in journal (Refereed)
    Abstract [en]

    In this work, the excess Gibbs free energy models, i.e., non-random two-liquid (NRTL) model and electrolyte NRTL model, including the original one and those with new strategies (association or hydration), were used to describe the macroscopic properties and interpret the microstructure of ionic liquid (IL) - H2O binary systems, clarifying the role of IL association and ion hydration in model development. To provide systematic data for model development, the enthalpy of mixing of three imidazolium-based IL-H2O systems containing the same cation but different sizes of anions, i.e., Cl−, Br−, and I−, were measured. The models were developed and evaluated based on the newly measured data and the osmotic coefficient from the literature. The results reveal that the model reflecting the intrinsic mechanism of dissociation and hydration gives the best modeling results; and the ionic strength and the degree of IL dissociation as a function of water content can be predicted using the newly established model. The study clarifies the significance of IL association and anion hydration in model development and quantitatively demonstrates how water content influences the microstructure and real species in IL-H2O systems.

    Download full text (pdf)
    fulltext
  • 22.
    Mu, Liwen
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements. The University of Akron, Akron, USA.
    Ma, Xiaofeng
    Nanjing Forestry University, Nanjing, PR China.
    Guo, Xiaojing
    Chinese Academy of Sciences, Shanghai, PR China.
    Chen, Minjiao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Ji, Tuo
    The University of Akron, Akron, USA.
    Hua, Jing
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Zhu, Jiahua
    The University of Akron, Akron, USA.
    Shi, Yijun
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Structural strategies to design bio-ionic liquid: Tuning molecular interaction with lignin for enhanced lubrication2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 280, p. 49-57Article in journal (Refereed)
    Abstract [en]

    Lignin strengthened ionic liquids (ILs) have shown high potential to be used as high performance green lubricants. Strengthened lignin-ILs molecular interaction is an effective approach to improve their lubrication properties. The molecular interactions of ILs’ cation and anion containing different functional groups with lignin and efficiency on the lubricating properties have rarely been studied yet. In this work, a series of novel green lubricants with dissolved lignin in [Choline][Amino Acid] ([CH][AA]), [Tetramethylammonium][Glycine] ([N 1111 ][Gly]) and [Tetrabutylammonium][Glycine] ([N 4444 ][Gly]) ILs have been synthesized and their tribological properties were systematically investigated. The longer alkyl chain in cation without reciprocal H-bond interaction between ILs’ cation and anion has the positive effect on the anti-wear properties. In addition, the less steric effect and more negative natural charges of amino acid anion synergistically contribute to the stronger H-bond interaction between lignin and choline base ILs, which enhances lubrication film strength and thus resulting in the better tribological property of ILs/lignin green lubricants. Specifically, the wear volume loss of the steel disc lubricated by [N 4444 ][Gly] with the addition of 15% lignin is only 12% of the one lubricated by pure [N 4444 ][Gly]. This work presents a method to tune molecular interaction between lignin and ILs via the structural design of ILs’ cation and anion, which are revealed as the key factor that bridges the individual components and improves overall lubricating properties. 

  • 23.
    Mukesh, Chandrakant
    et al.
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90187 Umeå, Sweden.
    Sarmad, Shokat
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90187 Umeå, Sweden.
    Samikannu, Ajaikumar
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90187 Umeå, Sweden.
    Nikjoo, Dariush
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Siljebo, William
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90187 Umeå, Sweden.
    Mikkola, Jyri-Pekka
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90187 Umeå, Sweden; Industrial Chemistry & Reaction Engineering, Department of Chemical Engineering, Johan Gadolin Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, FI-20500 Åbo-Turku, Finland.
    Pore size-excluded low viscous porous liquids for CO2 sorption at room temperature and thermodynamic modeling study2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 356, article id 119046Article in journal (Refereed)
    Abstract [en]

    Herein, we report porous ionic liquids (type-III) designed to utilize microporous ZIF-8 moieties with functional ionic liquids such as 8-(2-methoxyethyl)-1,8-Diazabicyclo[5.4.0]undec-7-en-8-ium, Bis(trifluoromethane)sulfonamide ([MEDBU][TFSI] and Trioctylammonium 4-para-tert-butylbenzoiate [TOAH][PTBBA]). The prepared materials were thoroughly characterized by means of XRD, FT-IR, SEM, TEM, BET, TGA, DSC and viscometry techniques. The idea of combining the intrinsic properties of ionic liquids with microporous architecture to prepare porous ionic liquids yields promising fluidic materials that have received attention in industrial applications such as gas sorption and separation etc. The prepared porous ionic liquids possess unique physico-chemical properties such as low viscosity, high thermal stability, low vapor pressure, reusability and their fluidic nature renders the materials suitable for CO2 capture. Herein introduced porous ionic liquids (ILs) showed enhanced CO2 uptake (0.92 mmol/g in [TOAH][PTBBA]-Z100 and 1.16 mmol/g in [MEDBU][TFSI]-Z200), or in other words, 15–47% higher sorption capacity compared to neat ionic liquids. This concept overcomes the drawbacks of highly viscous ILs and their limited CO2 sorption capacity. Thermodynamic modeling further demonstrated that the enthalpy of sorption is only −9.99 kJ mol−1, indicating that significantly less energy is required for regeneration. This is promising for the potential use of these fluidic materials in continuous separation processes on an industrial scale, as a better alternative to the existing hazardous amine scrubbing.

  • 24.
    Perepelytsya, Sergiy
    et al.
    Bogolyubov Institute for Theoretical Physics of the National Academy of Sciences of Ukraine, Kyiv 03143, Ukraine; National University of Kyiv-Mohyla Academy, Kyiv 04070, Ukraine.
    Vasiliu, Tudor
    Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487, Romania; The Research Institute of the University of Bucharest (ICUB), 90 Sos. Panduri, 050663 Bucharest, Romania.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487, Romania; Department of Materials and Environmental Chemistry, Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, 106 91 Stockholm, Sweden; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, 210009 Nanjing, PR China; Department of Chemical and Geological Sciences, University of Cagliari, 09042, Monserrato, Italy.
    Engelbrecht, Leon De Villiers
    Department of Chemical and Geological Sciences, University of Cagliari, 09042, Monserrato, Italy.
    Brancato, Giuseppe
    Scuola Normale Superiore and CSGI, Piazza dei Cavalieri 7, I-56126 Pisa, Italy; Istituto Nazionale di Fisica Nucleare (INFN) sezione di Pisa, Largo Bruno Pontecorvo 3, I-56127 Pisa, Italy.
    Mocci, Francesca
    Department of Chemical and Geological Sciences, University of Cagliari, 09042, Monserrato, Italy.
    Conformational flexibility of spermidine3+ interacting with DNA double helix2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 389, article id 122828Article in journal (Refereed)
    Abstract [en]

    Natural polyamines play a key role in many biological processes, particularly in the stabilization of DNA double helix structure in the cell nucleus. Among others, the conformational flexibility of polyamines, such as spermidine, is an essential property for the formation of complexes with DNA. Yet, the characterization of the conformational space of polyamines has not been fully elucidated. Using atomistic molecular dynamics (MD) simulations, we present a detailed study of the conformational space of spermidine3+ both in solution and in interaction with DNA. We have identified more than 2000 distinct conformations, which can be grouped into seven modes. Notably, the relative population of these modes is highly affected by the interaction of spermidine3+ with DNA, thus representing a fingerprint of complex formation. In particular, three of the seven dihedral angles of spermidine3+ are predominantly in trans conformation (with or without DNA), while the other four dihedral angles are observed to switch between trans, gauche+ and gauche-. The preference between the latter conformational states was analyzed in terms of the distinct energy contributions composing the potential energy. Overall, our results shed some light on the conformational equilibrium and dynamics of spermidine3+, which in turn is important for understanding the nature of its interaction with DNA.

    Download full text (pdf)
    fulltext
  • 25.
    Sarmad, Shokat
    et al.
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90871 Umeå, Sweden.
    Nikjoo, Dariush
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Mikkola, Jyri-Pekka
    Technical Chemistry, Department of Chemistry, Chemical-Biological Centre, Umeå University, SE-90871 Umeå, Sweden. Industrial Chemistry & Reaction Engineering, John Gadolin Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, Fl-20500 Åbo-Turku, Finland.
    Amine functionalized deep eutectic solvent for CO2 capture: Measurements and modeling2020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 309, article id 113159Article in journal (Refereed)
    Abstract [en]

    Deep eutectic solvents (DESs) have gained a great interest among researchers owing to their inherent advantages to become an adaptable alternative to ionic liquids (ILs) and common amine solutions for CO2 capture. In the present study, we prepared five new three-component DESs by functionalization of choline chloride-ethanolamine (1,7, mol,mol) DES using different types of amines: diethanolamine (amine type 2), methyldiethanolamine (amine type 3), piperazine (amine type 2) as well as 1-(2-aminoethyl)piperazine (amine type 1 and 2). All of the prepared DESs are liquid at room temperature and their melting points were in the range of 265–276 K. The solubility of CO2 in the studied DESs was measured at pressures up to 2 MPa and 298.15 K. The obtained experimental data were analyzed by the use of generic Redlich-Kwong equation of state (RK-EOS) model and Henry's law constant have been calculated from the obtained experimental data through the EOS correlation. All the studied DESs show chemical absorption of CO2 which can be approved based on the excess enthalpy and Gibbs energy functions. FT-IR spectroscopy and 13C NMR verified the formation of carbamate in the CO2 absorption process which revealed the chemisorption of CO2 in the studied DESs. The ideal association model has been utilized to describe the excess thermodynamic functions and two different types of the chemical association have been detected AB2 and AB, (A refer to DESs and B to CO2). Based on the obtained solubility data, the amines that enhanced the absorption capacity of choline chloride-ethanolamine (1,7) follow the trend as follows: piperazine > aminoethylpiperazine > methyldiethanolamine > diethanolamine. Therefore, piperazine can be considered as an absorption enhancer. The viscosity of DESs before and after CO2 absorption as well as the thermal behavior of the DESs were also investigated.

  • 26.
    Shaikhullina, Milyausha
    et al.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Khaliullina, Aliya
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia. Medical and Biological Physics, Kazan Medical University, 420012 Kazan, Russia.
    Gimatdinov, Rustam
    Medical and Biological Physics, Kazan Medical University, 420012 Kazan, Russia.
    Butakov, Anatoly
    Radiophysics and Electronics, Chelyabinsk State University, Chelyabinsk 454001, Russia.
    Chernov, Vladimir
    Radiophysics and Electronics, Chelyabinsk State University, Chelyabinsk 454001, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Medical and Biological Physics, Kazan Medical University, 420012 Kazan, Russia.
    NMR relaxation and self-diffusion in aqueous micellar gels of pluronic F-1272020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 306, article id 112898Article in journal (Refereed)
    Abstract [en]

    We studied the transverse NMR relaxation of protons of different chemical groups and diffusion of molecules in an aqueous pluronic F-127 system. The system was studied at concentrations of 15, 21 and 28 wt% and in the temperature range of 293–333 K. The dynamic peculiarities in different phases were analyzed based on the NMR relaxation and diffusion data. Our study demonstrated a correlation between phase states, T2 relaxation times of “solid-like” and “liquid” protons of selected chemical groups of polypropylene oxide (PPO) and polyethylene oxide (PEO) blocks, and diffusion coefficients. Transverse NMR relaxation established that the presence of a “solid-like” component of CH3 protons of PEO blocks is observed only at temperatures and concentrations corresponding to the rigid-gel phase, due to entanglements between micellar coronas. At all temperatures and concentrations, some CH3 protons of PPO blocks and some CH2 protons of PEO blocks show “liquid-like” transverse NMR relaxation. Under the conditions corresponding to formation of the rigid-gel phase of the pluronic, relaxation of the “liquid-like” protons additionally accelerates due to entanglements of micellar coronas. Transition of the system to the rigid-gel phase is accompanied by decrease of diffusion coefficients by a factor of 10–104 relative to the diffusivity of free-moving pluronic micelles in the sol phase. Diffusion measurements show that there are pre-transition phenomena, which are characteristic for temperatures and concentrations near sol-gel phase boundaries.

  • 27.
    Shen, Gulou
    et al.
    National & Local Joint Engineering Research Center for Deep Utilization Technology of Rock-salt Resource, Faculty of Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, China.
    Sun, Yunhao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Wang, Yu
    National & Local Joint Engineering Research Center for Deep Utilization Technology of Rock-salt Resource, Faculty of Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Interfacial structure and differential capacitance of ionic liquid/graphite interface: A perturbed-chain SAFT density functional theory study2020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 310, article id 113199Article in journal (Refereed)
    Abstract [en]

    The perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) was combined with the electrostatic free energy from the mean spherical approximation (MSA) theory, and applied to represent densities of pure imidazolium ionic liquids (ILs) with anion [BF4]−. The PC-SAFT parameters of cations were linearized with their molar mass and obtained by simultaneously fitting the model predictions to experimental densities of some ILs. The PC-SAFT-MSA model provides accurate correlations and predictions of densities comparing with experimental data. Then a classical density functional theory (DFT) was developed based on PC-SAFT-MSA. The DFT model was applied to explore the structure and differential capacitance of the electrical double layer (EDL) in ILs on graphite. The model predicts similar density profiles for both cation and anion on a neutral surface, and layered structure with alternating layers of cations and anions on a charged surface. The charge inversion phenomena were also studied based on ion distributions. We further studied the effects of the alkyl chain length, temperature and non-electrostatic solid-fluid interactions on the differential capacitance of the EDL. The model provides bell-shaped differential capacitance curves. The peak positions of differential capacitance curves shift toward positive potentials as ions size asymmetry increases in agreement with previous experiments and simulations studies. The maximum capacitance decreases with increasing alkyl chain length as well as increasing temperature.

  • 28.
    Shen, Gulou
    et al.
    National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province, Huaiyin Institute of Technology, Huai’an 223003, China.
    Sun, Yunhao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Zhang, Xiaojie
    National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province, Huaiyin Institute of Technology, Huai’an 223003, China.
    Gao, Xiaoyan
    National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province, Huaiyin Institute of Technology, Huai’an 223003, China.
    Qian, Yunhua
    National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province, Huaiyin Institute of Technology, Huai’an 223003, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Partition and selectivity of electrolytes in cylindrical nanopores with heterogeneous surface charge2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 340, article id 116839Article in journal (Refereed)
    Abstract [en]

    In this work, ion partitioning and selectivity in cylindrical nanopores with heterogeneous surface charges at equilibrium with reservoirs are investigated by a two-dimensional (2D) classical density functional theory (DFT). We present an efficient numerical method for the large 2D system in which the fast Hankel transform and fast Fourier transform are used to calculate convolution integrals, and a hybrid method of Picard iteration and Anderson mixing is used to solve the Euler-Lagrange equations. The performance of the 2D DFT is tested by calculating the profiles of a model electrolyte in long homogeneous cylindrical nanopores. The profiles from the 2D DFT model matches well with those from a 1D DFT, and the computing time of the hybrid iteration algorithm is six times shorter than that of pure Picard iteration. We apply the model to electrolytes in cylindrical nanopores with heterogeneous surface charges. It is found that the ion adsorption and selectivity are strongly affected by the surface charge pattern, the magnitude of the surface charge, the size of charged domains on the surface, and the pore size.

  • 29.
    Wang, Nan
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Ma, Chunyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Yu, Hang
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Thermodynamics of CO2 separation with the superbase derived ionic liquid — Organic solvent binary system2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 331, article id 115760Article in journal (Refereed)
    Abstract [en]

    In this work, the CO2 absorption capacity of superbase derived ionic liquid, i.e., 1,8-diazabicyclo [5,4,0] undec-7-ene imidazole ([HDBU][IM]) mixed with three different cosolvents (dimethyl ethers of polyethylene glycol (DEPG), propylene carbonate, and ethylene glycol) was studied, and [HDBU][IM]-DEPG was selected for further investigation, showing [HDBU][IM]-DEPG with 2:1 mass ratio at the temperature of 298.15 K exhibits the optimal performance of CO2 absorption capacity and viscosity. The gas solubilities for CH4, N2, and two gas mixtures (75% N2 + 25% CO2; 60% CH4 + 40% CO2) were studied, indicating the selectivity can be up to 17, and the real selectivity is higher than the ideal one. Thermodynamic modelling was carried out, and the species distributions, as well as the physical and chemical contributions, were analyzed, illustrating the reliability of the thermodynamic model with an average relative deviation lower than 2.37%. The decreased DEPG content and increased temperature favor chemisorption, contributing more than 90% when the pressure was lower than 0.4 MPa, while with increasing pressure, the physical contribution gradually increases up to 30%. This work evidences that [HDBU][IM]-DEPG is an excellent candidate for CO2 separation due to its high CO2 absorption capacity and low viscosity, and the high CO2 selectivity over CH4 and N2 expands its capability for real industrial applications.

  • 30.
    Wang, Xin
    et al.
    School of Materials Science and Engineering / Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094, China.
    Zhang, Mengjie
    School of Materials Science and Engineering / Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094, China.
    Li, Licheng
    Innovation Research Center of Lignocellulosic Functional Materials, College of Chemical Engineering, Nanjing Forestry University, Nanjing 210037, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    An, Rong
    School of Materials Science and Engineering / Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094, China.
    Supported Fluorine-Free Ionic Liquids with Highly Sensitive Gas-Sensing Performance2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 390, no part B, article id 123122Article in journal (Refereed)
  • 31.
    Wei, Yudi
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Dong, Yihui
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Division of Physical Chemistry, Department of Materials and Environmental chemistry, Arrhenius Laboratory, Stockholm University, Stockholm 10691, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Riehemann, Kristina
    Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, Münster 48149, Germany.
    Detailing molecular interactions of ionic liquids with charged SiO2 surfaces: A systematic AFM study2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 350, article id 118506Article in journal (Refereed)
    Abstract [en]

    It is crucial to understand the behaviour and interfacial interactions as well as properties of ionic liquids (ILs) at electrode surfaces on the molecular level for developing IL-based electrochemical energy storage devices including supercapacitors and batteries. In this work, a colloid probe atomic force microscopy (CP-AFM) -based experimental approach is presented to determine the molecular interaction forces between ILs and differently charged SiO2 microspheres. The effects of structural variations in ILs and the nature surface charges of SiO2 on the molecular interaction force are systematically studied. The surface charges of SiO2 were achieved by grafting quaternary ammonium and –COOH, –NH2 groups. The determined molecular interaction force is found to be strongly dependent on the surface charge, in which, the force enhances at a more negatively charged surface. Furthermore, the ILs with longer alkyl chains on cations exhibit stronger molecular interaction forces with the charged SiO2. These reported experimental results on the molecular level provide new insights for model development and molecular simulations of ILs interacting with charged surfaces and guide the design of ILs-based supercapacitor and battery systems.

  • 32.
    Yang, Fuliu
    et al.
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Fan, Jixue
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Meng, Lingqiang
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wu, Jian
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Li, Jun
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Yang, Zhuhong
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Chen, Yifeng
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Efficient SO2 capture at ultra-low concentration using a hybrid absorbent of deep eutectic solvent and ethylene glycol2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 382, article id 121945Article in journal (Refereed)
    Abstract [en]

    Deep eutectic solvents (DESs) are considered as the highly effective absorbents for sulfur dioxide (SO2) capture. However, the high viscosity of DESs and the resulting slow absorption rate as well as low absorption capacity at low SO2 concentration seriously hinder their industrial application. In this study, DES of N-methyldiethanolamine (MDEA) and imidazole (Im) is simply blended with ethylene glycol (EG) forming a hybrid absorbent, namely MDEA/Im-EG, which exhibits extremely high SO2 capture capacity at low concentration. In particular, SO2 capture capacity in MDEA/Im-EG (molar ratio = 1:1) reaches 0.446 g SO2/g absorbent at 293.2 K with SO2 concentration of 2000 ppm. Moreover, the corresponding desorption enthalpy is only −40.67 kJ/mol. To well understand the results, thermodynamic analysis of SO2 capture is performed and the SO2 capture mechanism is speculated by nuclear magnetic resonance and Fourier transform infrared spectroscopy.

  • 33.
    Zhou, Le
    et al.
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China. School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China. Zhengzhou Institute of Emerging Industrial Technology, Zhengzhou 450000, China.
    Pan, Fengjiao
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China. School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China. Zhengzhou Institute of Emerging Industrial Technology, Zhengzhou 450000, China.
    Liu, Yanrong
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Kang, Zhaoqing
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
    Zeng, Shaojuan
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
    Nie, Yi
    CAS Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China. School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China. Zhengzhou Institute of Emerging Industrial Technology, Zhengzhou 450000, China.
    Study on the regularity of cellulose degradation in ionic liquids2020In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 308, article id 113153Article in journal (Refereed)
    Abstract [en]

    Ionic liquids (ILs) show the superiority in dissolving and spinning of cellulose. In this work, wood pulp and microcrystalline cellulose were dissolved respectively in two ILs, 1-allyl-3-methylimidazolium chloride ([Amim]Cl) and 1-ethyl-3-methylimidazolium diethyl phosphate ([Emim]DEP), to investigate the regularity of cellulose degradation in ILs. A novel method for determining degree of polymerization of cellulose employed ILs was proposed and its accuracy was compared with the traditional method. The results indicated that cellulose depolymerized seriously with the increase of time and temperature in [Amim]Cl than in [Emim]DEP. In addition, after cellulose dissolving for 72 h, none of the reducing sugar remained in the recycled [Emim]DEP, however, more than 2% reducing sugar can be measured in the recycled [Amim]Cl. These results are consistent with FT-IR investigation, i.e., [Amim]Cl shows greater dissolution capability for cellulose than [Emim]DEP. Therefore, [Emim]DEP shows great prospects in the continuous industrial spinning process under the determined temperature of 90–100 °C.

  • 34.
    Zhu, Wei
    et al.
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
    Zhang, Cheng
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
    Zhu, Yu-dan
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Nanjing University of Science & Technology, Nanjing, China.
    Lu, Xiao-hua
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
    Shi, Yi-jun
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Jiang, Sheng-yu
    College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
    Molecular insights on the microstructures of nanoconfined glycerol and its aqueous solutions: The effects of interfacial properties, temperature, and glycerol concentration2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 291, article id 111238Article in journal (Refereed)
    Abstract [en]

    In this work, we conducted molecular dynamics simulations to investigate the effects of rutile–liquid and graphene–liquid interfacial properties, glycerol concentrations (i.e., 10%, 40%, 70%, and 100% molar contents), and temperature (i.e., 180, 273, and 320 K) on the microstructures of nanoconfined glycerol and its aqueous solutions. Results indicated that the effect of interfacial properties on the spatial and orientation distributions of nanoconfined glycerol and water molecules was more prominent than that of temperature. In glycerol aqueous solutions, water and glycerol molecules localized into two distinct layers on the hydrophilic rutile surface but partially mixed with each other near the hydrophobic graphene surface, because water molecules near the hydrophobic surface exhibited more random orientations and formed more hydrogen bonds with glycerol molecules than those near the hydrophilic surface. Moreover, interface introduction and increased temperature drastically reduced the hydrogen bonding ability of water molecules in glycerol aqueous solutions. The addition of glycerol molecules can break hydrogen bonds between water molecules and inhibit water crystallization in glycerol aqueous solutions. Temperature and glycerol concentration exerted limited effects on the hydrogen bonding ability of water molecules on hydrophilic surfaces in glycerol aqueous solutions. Meanwhile, the presence of a hydrophilic surface can effectively decelerate hydrogen bond breakage induced by increasing temperature or by decreasing glycerol contents

  • 35.
    Zuo, Zhida
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Cao, Bei
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wang, Yangxin
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ma, Chunyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Thermodynamic Study of Choline Chloride-Based Deep Eutectic Solvents with Dimethyl Sulfoxide and Isopropanol2023In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, article id 123731Article in journal (Refereed)
1 - 35 of 35
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf