A Novel Approach for Prediction of Sensitivity toward the Electrical Discharge of Quaternary Ammonium-based Energetic Ionic Liquids or Salts

2018 ◽  
Vol 644 (19) ◽  
pp. 1153-1157 ◽  
Author(s):  
Behzad Nazari ◽  
Mohammad Hossein Keshavarz ◽  
Mohammad Jafari ◽  
Fatemeh Jafari
2018 ◽  
Vol 43 (6) ◽  
pp. 568-573 ◽  
Author(s):  
Mohammad Jafari ◽  
Mohammad Hossein Keshavarz ◽  
Fatemeh Joudaki ◽  
Ali Mousaviazar

2006 ◽  
Vol 8 (9) ◽  
pp. 798 ◽  
Author(s):  
Juliusz Pernak ◽  
Marcin Smiglak ◽  
Scott T. Griffin ◽  
Whitney L. Hough ◽  
Timothy B. Wilson ◽  
...  

2019 ◽  
Vol 55 (6) ◽  
pp. 2419-2428 ◽  
Author(s):  
Xinrui Zhu ◽  
Fang Liu ◽  
Jiamin Jiang ◽  
Li Wang ◽  
Jinglai Zhang

2006 ◽  
Vol 8 (1) ◽  
pp. 96-99 ◽  
Author(s):  
Jianyang Weng ◽  
Congmin Wang ◽  
Haoran Li ◽  
Yong Wang

2004 ◽  
Vol 151 (8) ◽  
pp. A1168 ◽  
Author(s):  
K. Kim ◽  
Christopher Lang ◽  
Roger Moulton ◽  
Paul A. Kohl

2020 ◽  
Author(s):  
Alexander Schlaich ◽  
Dongliang Jin ◽  
Lyderic Bocquet ◽  
Benoit Coasne

Abstract Of particular relevance to energy storage, electrochemistry and catalysis, ionic and dipolar liquids display a wealth of unexpected fundamental behaviors – in particular in confinement. Beyond now well-documented adsorption, overscreening and crowding effects1,2,3, recent experiments have highlighted novel phenomena such as unconventional screening4 and the impact of the electronic nature – metallic versus insulating – of the confining surface on wetting/phase transitions5,6. Such behaviors, which challenge existing theoretical and numerical modeling frameworks, point to the need for new powerful tools to embrace the properties of confined ionic/dipolar liquids. Here, we introduce a novel atom-scale approach which allows for a versatile description of electronic screening while capturing all molecular aspects inherent to molecular fluids in nanoconfined/interfacial environments. While state of the art molecular simulation strategies only consider perfect metal or insulator surfaces, we build on the Thomas-Fermi formalism for electronic screening to develop an effective approach that allows dealing with any imperfect metal between these asymptotes. The core of our approach is to describe electrostatic interactions within the metal through the behavior of a `virtual' Thomas-Fermi fluid of charged particles, whose Debye length sets the Thomas-Fermi screening length λ in the metal. This easy-to-implement molecular method captures the electrostatic interaction decay upon varying λ from insulator to perfect metal conditions, while describing very accurately the capacitance behavior – and hence the electrochemical properties – of the metallic confining medium. By applying this strategy to a nanoconfined ionic liquid, we demonstrate an unprecedented wetting transition upon switching the confining medium from insulating to metallic. This novel approach provides a powerful framework to predict the unsual behavior of ionic liquids, in particular inside nanoporous metallic structures, with direct applications for energy storage and electrochemistry.


2016 ◽  
Vol 86 (6) ◽  
pp. 1314-1318 ◽  
Author(s):  
L. I. Voronchikhina ◽  
O. E. Zhuravlev ◽  
N. V. Verolainen ◽  
N. I. Krotova

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