Quantum chemical aided prediction of the thermal decomposition mechanisms and temperatures of ionic liquids

Kroon, Maaike C.; Buijs, Wim; Peters, Cor J.; Witkamp, Geert‐Jan

doi:10.1016/j.tca.2007.09.003

Cited by 234 publications

(195 citation statements)

References 33 publications

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“…Apparently, such observation is in disagreement with the literature data, where much higher decomposition temperatures are reported. However, these values were obtained via DSC or TGA, heating the material for much shorter times as recently observed by Kroon et al [5]. Furthermore, recent studies demonstrate that the decomposition of ILs can be also speeded up by the presence of metals in contact with [6,7].…”

Section: Forty-eight Hours Immersion Tests At 220 1cmentioning

confidence: 92%

Ionic liquids as diathermic fluids for solar trough collectors’ technology: A corrosion study

Perissi

Bardi

Caporali

et al. 2008

Solar Energy Materials and Solar Cells

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The AISI 304 and AISI 1018 steels (frequently used in solar collectors' plants) in contact with four different ionic liquids (ILs) suitable as diathermic fluids, were studied. Immersion tests were performed at 220 1C (the working temperature in such plants) for 10 days. The corrosion morphologies of the steels were investigated by scanning electron microscopy coupled with energy dispersive X-ray (EDX) microanalysis and the content of metals in the solution were detected via ICP-OES. The tests showed that the most performing IL is the ethyl-dimethyl-propyl-ammonium-bis(trifluoromethylsulphonyl)imide. The corrosion properties of the two alloys in contact with such IL were investigated by means of Tafel plots and resistance polarization at room temperature in open-to-air vessels. r

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Section: Forty-eight Hours Immersion Tests At 220 1cmentioning

confidence: 92%

Ionic liquids as diathermic fluids for solar trough collectors’ technology: A corrosion study

Perissi

Bardi

Caporali

et al. 2008

Solar Energy Materials and Solar Cells

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“…Taking into account all these considerations, ILs containing anions without accessible oxygen for binding to the cation, such as bis(trifluoromethylsulfonyl)imide or with an aromatic group and larger alkyl chains, such as dodecylbenzenesulfonate, provide a better delocalisation of the charge leading to good thermal stability [63,76]. In addition, anion nucleophilicity is another possible approach which should prove useful in predicting quantitative thermal stability trends in ionic liquids [79,80]. The pathway with the lowest activation free energy would be expected to be the most nucleophilic [81].…”

Section: Thermal Decompositionmentioning

confidence: 99%

Isoconversional kinetic analysis applied to five phosphonium cation-based ionic liquids

et al. 2017

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Thermal degradation of five phosphonium cation-based ionic liquids ([P 66614 outperforming the other ones in both pyrolytic and oxidising conditions. Although the thermal degradation mechanism is affected by atmospheric conditions, the degradation trend remains practically constant. As the dynamic methodology usually overestimates the long-term thermal stability, an isoconversional methodology is better for predicting the long-term thermal stability of these ionic liquids in order to be used as base oil or additive in lubricants formulation. Finally, the model-free methodology can predict at lower costs the ILs performance in isothermal conditions. Highlights• Weakly coordinating anions provoke good thermal stability of ILs.• • Isoconversional methods are better than dynamic ones for long-term thermal studies.• Activation energy behavior at low conversions is related to a single reaction.• Model-free methodology can predict the ILs performance in isothermal conditions.

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“…[59][60][61][62] In going from mono-to dianions, the thermal stability seems to be affected by both the nature of the charged head and the spacer. Indeed, among dianions, the naphthalenedisulfonate salt 2d shows the highest thermal stability, possibly …”

Section: Tga Measurementsmentioning

confidence: 99%

Solution and thermal behaviour of novel dicationic imidazolium ionic liquids

et al. 2013

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A new class of functionalised dicationic ionic liquids, containing a central cationic unit capped by a basic functionality (imidazole), has been synthesised. These salts have been characterised in isotropic solution using proton and 2D-NMR spectroscopy, and their thermal stability has been studied by DSC and TGA. All these novel salts contain the 1-(1-imidazolylmethyl)-3,5-di{1-(3'-octylimidazolylmethyl)}-benzene cation as a defining structural motif. Salts of both singly and doubly charged anions were prepared and, in particular, the selected monoanions (Br − , [BF 4 ] − , or [NTf 2 ] − ) differ in size, shape and hydrogenbonding ability, whereas the dianions differ in the nature of the spacer, such as 1,4-benzenedicarboxylate, 2,6-naphthalenedicarboxylate, 1,5-and 2,6-naphthalenedisulfonate, 1,4-butanedicarboxylate, and 1,6-hexanedicarboxylate. These ionic liquids exhibit the presence of different conformers in solution, whose distribution is affected by the nature of the anion. The nature of the anion also affects their thermal stability.

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Quantum chemical aided prediction of the thermal decomposition mechanisms and temperatures of ionic liquids

Cited by 234 publications

References 33 publications

Ionic liquids as diathermic fluids for solar trough collectors’ technology: A corrosion study

Ionic liquids as diathermic fluids for solar trough collectors’ technology: A corrosion study

Isoconversional kinetic analysis applied to five phosphonium cation-based ionic liquids

Solution and thermal behaviour of novel dicationic imidazolium ionic liquids

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