Water interaction with ion pairs from ionic liquids. Computational study and performance assessment of several common functionals

2014 ◽  
Vol 593 ◽  
pp. 181-188 ◽  
Author(s):  
Ceila Fong-Padrón ◽  
Enrique M. Cabaleiro-Lago ◽  
Jesús Rodríguez-Otero
2020 ◽  
Author(s):  
Swati Arora ◽  
Julisa Rozon ◽  
Jennifer Laaser

<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>


Solar Energy ◽  
2020 ◽  
Vol 212 ◽  
pp. 258-274
Author(s):  
C. Zomer ◽  
I. Custódio ◽  
S. Goulart ◽  
S. Mantelli ◽  
G. Martins ◽  
...  

2013 ◽  
Vol 52 (45) ◽  
pp. 16019-16031 ◽  
Author(s):  
M. Ghodrat ◽  
S. B. Kuang ◽  
A. B. Yu ◽  
A. Vince ◽  
G. D. Barnett ◽  
...  

2021 ◽  
Vol 115 ◽  
pp. 104022
Author(s):  
Benbo Sun ◽  
Mingjiang Deng ◽  
Sherong Zhang ◽  
Chao Wang ◽  
Yang Li ◽  
...  

Energies ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 3066
Author(s):  
Michał Patyk ◽  
Przemysław Bodziony ◽  
Zbigniew Krysa

Selection and assessment of mining equipment used in open pit rock mines relies chiefly on estimates of overall exploitation cost. The rational arrangement of mining equipment and systems comprising loading machines, haul trucks and crushing plants should be preceded by a thorough analysis of technical and economic aspects, such as investment outlays and the costs of further exploitation, which largely determine the costs of mining operations and the deposit value. Additionally, the operational parameters of the mining equipment ought to be considered. In this study, a universal set of evaluation criteria has been developed, and an evaluation method has been applied for the selection of surface mining equipment and the processing system to be operated in specific mining conditions, defined by the user. The objective of this study is to develop and apply the new methodology of multi-criteria selection of open pit rock mining equipment based on multiple criteria decision-making (MCDM) procedures, to enable the optimization of loading, handling and crushing processes. The methodology, underpinned by the principles of MCDM, provides the dedicated ranking procedures, including the ELECTRE III. The applied methodology allows the alternative options (variants) to be ranked accordingly. Ultimately, a more universal methodology is developed, applicable in other surface mines where geological and mining conditions are similar. It may prove particularly useful in selection and performance assessment of mining equipment and process line configurations in mining of low-quality rock deposits. Therefore, we undertook to develop universal criteria and applications for the selection and performance assessment of process machines for surface mines, taking into account environmental aspects as well as deposit quality.


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