scholarly journals Simulation of a Solvate Ionic Liquid at a Polarisable Electrode with a Constant Potential

2018 ◽  
Author(s):  
Samuel W. Coles ◽  
Vladislav Ivanistsev
Keyword(s):  
Boundary Condition ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Surface Charge ◽  
Computational Studies ◽  
Lithium Ions ◽  
Liquid Electrode ◽  
Constant Potential ◽  
Electrode Interface ◽  
Insight Into

<div>In this article we discuss the nanostructure and calculated the capacitance of a solvate ionic liquid–electrode interfaces, where the electrode has a constant potential, and is thus inherently polarisable. Lithium ions from the lithium</div><div>glyme solvate ionic liquid are found within 0.5 nm of the electrode at all voltages studied, however, their solvation environment varies with voltage. Our study provides molecular insight into the electrode interface of solvate ionic liquids, with many features similar to pure ionic liquids. A comparison with previous studies of the same electrolyte using the fixed surface charge boundary condition is also illuminating, informing future computational studies of electrolyte–electrode interfaces.</div>

Simulation of a Solvate Ionic Liquid at a Polarisable Electrode with a Constant Potential

2019 ◽  
Author(s):  
Samuel W. Coles ◽  
Vladislav Ivanistsev
Keyword(s):  
Boundary Condition ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Surface Charge ◽  
Computational Studies ◽  
Lithium Ions ◽  
Liquid Electrode ◽  
Constant Potential ◽  
Electrode Interface ◽  
Insight Into

<div>In this article we discuss the nanostructure and calculated the capacitance of a solvate ionic liquid–electrode interfaces, where the electrode has a constant potential, and is thus inherently polarisable. Lithium ions from the lithium</div><div>glyme solvate ionic liquid are found within 0.5 nm of the electrode at all voltages studied, however, their solvation environment varies with voltage. Our study provides molecular insight into the electrode interface of solvate ionic liquids, with many features similar to pure ionic liquids. A comparison with previous studies of the same electrolyte using the fixed surface charge boundary condition is also illuminating, informing future computational studies of electrolyte–electrode interfaces.</div>

scholarly journals Simulation of a Solvate Ionic Liquid at a Polarisable Electrode with a Constant Potential

2019 ◽  
Author(s):  
Samuel W. Coles ◽  
Vladislav Ivanistsev
Keyword(s):  
Boundary Condition ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Surface Charge ◽  
Computational Studies ◽  
Lithium Ions ◽  
Liquid Electrode ◽  
Constant Potential ◽  
Electrode Interface ◽  
Insight Into

<div>In this article we discuss the nanostructure and calculated the capacitance of a solvate ionic liquid–electrode interfaces, where the electrode has a constant potential, and is thus inherently polarisable. Lithium ions from the lithium</div><div>glyme solvate ionic liquid are found within 0.5 nm of the electrode at all voltages studied, however, their solvation environment varies with voltage. Our study provides molecular insight into the electrode interface of solvate ionic liquids, with many features similar to pure ionic liquids. A comparison with previous studies of the same electrolyte using the fixed surface charge boundary condition is also illuminating, informing future computational studies of electrolyte–electrode interfaces.</div>

Dynamics of Ion Locking in Doubly Polymerized Ionic Liquids

2020 ◽  
Author(s):  
Swati Arora ◽  
Julisa Rozon ◽  
Jennifer Laaser
Keyword(s):  
Dielectric Constant ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Ion Pairs ◽  
Polymer Chains ◽  
Ion Motion ◽  
Charged Species ◽  
Broadband Dielectric Spectroscopy ◽  
Covalently Linked ◽  
Insight Into

<div>In this work, we investigate the dynamics of ion motion in “doubly-polymerized” ionic liquids (DPILs) in which both charged species of an ionic liquid are covalently linked to the same polymer chains. Broadband dielectric spectroscopy is used to characterize these materials over a broad frequency and temperature range, and their behavior is compared to that of conventional “singly-polymerized” ionic liquids (SPILs) in which only one of the charged species is attached to the polymer chains. Polymerization of the DPIL decreases the bulk ionic conductivity by four orders of magnitude relative to both SPILs. The timescales for local ionic rearrangement are similarly found to be approximately four orders of magnitude slower in the DPILs than in the SPILs, and the DPILs also have a lower static dielectric constant. These results suggest that copolymerization of the ionic monomers affects ion motion on both the bulk and the local scales, with ion pairs serving to form strong physical crosslinks between the polymer chains. This study provides quantitative insight into the energetics and timescales of ion motion that drive the phenomenon of “ion locking” currently under investigation for new classes of organic electronics.</div>

Electrochemistry of Neodymium in Phosphonium Ionic Liquids: The Influence of Cation, Water Content, and Mixed Anions

2020 ◽  
Vol 73 (11) ◽  
pp. 1080
Author(s):  
Laura Sanchez-Cupido ◽  
Jennifer M. Pringle ◽  
Amal Siriwardana ◽  
Cristina Pozo-Gonzalo ◽  
Maria Forsyth
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Electrochemical Behaviour ◽  
Critical Metals ◽  
Deposition Mechanism ◽  
Reduction Processes ◽  
Constant Potential ◽  
Current Densities ◽  
Environmentally Friendly Approach ◽  
Phosphonium Ionic Liquids

Electrodeposition using ionic liquids has emerged as an environmentally friendly approach to recover critical metals, such a neodymium. The investigation of ionic liquid chemistries and compositions is an important part of the move towards efficient neodymium recovery from end-of-life products that needs further research. Thus, in this paper we have investigated a series of phosphonium ionic liquids as potential electrolytic media. Anions such as bis(trifluoromethylsulfonyl)imide (TFSI), dicyanamide (DCA), and triflate (TfO) have been investigated, in combination with short- and long-alkyl-chain phosphonium cations. The work here suggests that [TFSI]– is one of the most promising anions for successful deposition of Nd and that water plays an important role. In contrast, electrochemical behaviour was significantly hindered in the case of DCA ionic liquid, most likely owing to strong coordination between [DCA]– and Nd3+. Mixtures of anions, [TfO]– and [TFSI]–, have also been investigated in this work, resulting in two reduction processes that could be related to a different deposition mechanism involving two steps, as observed in the case of dysprosium or, alternatively, different coordination environments that have distinct deposition potentials. Additionally, we investigated the influence of electrode substrates – glassy carbon and copper. Cu electrodes resulted in the largest current densities and thus were used for subsequent electrodeposition at constant potential. These findings are valuable for optimising the deposition of Nd in order to develop more efficient and inexpensive recycling technologies for rare earth metals.

scholarly journals A mechanistic insight into the organocatalytic properties of imidazolium-based ionic liquids and a positive co-solvent effect on cellulose modification reactions in an ionic liquid

RSC Advances ◽  
2017 ◽  
Vol 7 (16) ◽  
pp. 9423-9430 ◽  
Author(s):  
Ryohei Kakuchi ◽  
Ryo Ito ◽  
Shuhei Nomura ◽  
Hadi Abroshan ◽  
Kazuaki Ninomiya ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Solvent Effect ◽  
Cellulose Modification ◽  
Mechanistic Insight ◽  
Insight Into

Mechanistic insights into organocatalytic properties of imidazolium-based ionic liquids led to improvements of cellulose modification reactions in ionic liquids.

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