Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as CO2 absorbers.
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Summary
The properties of mixtures of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [N4111][NTf2], with poly(ethyleneglycol) dimethyl ether, PEO, were described as a function of PEO chain size by molecular dynamics simulations to reveal a favorable CO2 absorption by the neat and mixture systems.
- Type
- article
- Published
- 2018-04-05
- Cited by
- 15
- References
- 66
- Access
- Open access
- OpenAlex
- https://openalex.org/W2796395270
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:4715109
Keywords
Ionic liquid, Solubility, Mole fraction, Solvation, Chemistry
References
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- Absorption of carbon dioxide by ionic liquids with carboxylate anions
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- Anion effects on gas solubility in ionic liquids.
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- Molecular dynamics simulations of CO2 at an ionic liquid interface: adsorption, ordering, and interfacial crossing.
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- Molecular Dynamics Simulations of Poly(ethylene oxide)/LiI Melts. 2. Dynamic Properties
- Molecular dynamics simulation of molten sodium chlorate
- Effect of fluorination and size of the alkyl side-chain on the solubility of carbon dioxide in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids.
- Room-Temperature Ionic Liquid−Amine Solutions: Tunable Solvents for Efficient and Reversible Capture of CO2
Cited by
- Surface Structure of Quaternary Ammonium-Based Ionic Liquids Studied Using Molecular Dynamics Simulation: Effect of Switching the Length of Alkyl Chains
- Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study
- CO2 and CH4 sorption and selectivity by solid-state [P2 4 4 4][PF6], [P4 4 4 4][PF6] and [P6 4 4 4][PF6] ionic liquids under different pressures
- Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries
- Atomistic study of the physical properties of sulfonium-based ionic liquids as electrolyte for supercapacitors
- Ether-Functionalized Sulfonium Ionic Liquid and its Binary Mixtures With Acetonitrile as Electrolyte for Electrochemical Double Layer Capacitors: a Molecular Dynamics Study.
- Gas solubility in ionic liquids
- Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid–Hexafluoroisopropylidene Polyimide Composite Membrane
- Improved carbon dioxide absorption in double-charged ionic liquids.
- Understanding CO2 absorption by an ammonium-based ionic liquid confined in porous carbon material under applied voltage
- Fixation of Carbon Dioxide with Functionalized Ionic Liquids
- Thermodynamic and Kinetic Effects of Quaternary Ammonium and Phosphonium Ionic Liquids on CO2 Hydrate Formation
- Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior
- Computational evaluation of phosphonium ILs as CO2 absorbents for electrochemistry
- Multimode propellant discovery: a computational high-throughput screening paradigm
- Ether-Functionalized Sulfonium Ionic Liquid and Its Binary Mixtures with Acetonitrile as Electrolyte for Electrochemical Double Layer Capacitors: A Molecular Dynamics Study
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