Spatial-decomposition analysis of electrical conductivity in ionic liquid

2014 ◽  
Vol 141 (24) ◽  
pp. 244507 ◽  
Author(s):  
Kai-Min Tu ◽  
Ryosuke Ishizuka ◽  
Nobuyuki Matubayasi
Keyword(s):  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Decomposition Analysis ◽  
Spatial Decomposition

Molecular dynamics and electrical conductivity of Guanidinium based ionic liquid crystals: Influence of cation headgroup configuration

2021 ◽  
Vol 330 ◽  
pp. 115666
Author(s):  
Mohamed A. Kolmangadi ◽  
Arda Yildirim ◽  
Kathrin Sentker ◽  
Martin Butschies ◽  
Andrea Bühlmeyer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Liquid Crystals ◽  
Ionic Liquid Crystals

Expenditure Inequality in Indonesia, 2008-2010: A Spatial Decomposition Analysis and the Role of Education

2014 ◽  
Vol 28 (4) ◽  
pp. 389-411 ◽  
Author(s):  
Mitsuhiro Hayashi ◽  
Mitsuhiko Kataoka ◽  
Takahiro Akita
Keyword(s):  
Decomposition Analysis ◽  
Spatial Decomposition

Spatial-Decomposition Analysis of Energetics of Ionic Hydration

2016 ◽  
Vol 120 (8) ◽  
pp. 1813-1821 ◽  
Author(s):  
George Mogami ◽  
Makoto Suzuki ◽  
Nobuyuki Matubayasi
Keyword(s):  
Decomposition Analysis ◽  
Spatial Decomposition ◽  
Ionic Hydration

scholarly journals Current Status of AMOEBA–IL: A Multipolar/Polarizable Force Field for Ionic Liquids

2020 ◽  
Vol 21 (3) ◽  
pp. 697
Author(s):  
Erik Antonio Vázquez-Montelongo ◽  
José Enrique Vázquez-Cervantes ◽  
G. Andrés Cisneros
Keyword(s):  
Ionic Liquid ◽  
Force Field ◽  
Decomposition Analysis ◽  
Lanthanide Ions ◽  
Current Status ◽  
Energy Decomposition Analysis ◽  
Quantum Mechanical ◽  
Exchange Reactions ◽  
Polarizable Force Field ◽  
Liquid Systems

Computational simulations of ionic liquid solutions have become a useful tool to investigate various physical, chemical and catalytic properties of systems involving these solvents. Classical molecular dynamics and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of IL systems have provided significant insights at the atomic level. Here, we present a review of the development and application of the multipolar and polarizable force field AMOEBA for ionic liquid systems, termed AMOEBA–IL. The parametrization approach for AMOEBA–IL relies on the reproduction of total quantum mechanical (QM) intermolecular interaction energies and QM energy decomposition analysis. This approach has been used to develop parameters for imidazolium– and pyrrolidinium–based ILs coupled with various inorganic anions. AMOEBA–IL has been used to investigate and predict the properties of a variety of systems including neat ILs and IL mixtures, water exchange reactions on lanthanide ions in IL mixtures, IL–based liquid–liquid extraction, and effects of ILs on an aniline protection reaction.

scholarly journals Ionic and conformational mobility in poly(vinylidene fluoride)/ionic liquid blends: Dielectric and electrical conductivity behavior

Polymer ◽  
2018 ◽  
Vol 143 ◽  
pp. 164-172 ◽  
Author(s):  
D.M. Correia ◽  
R. Sabater i Serra ◽  
J.A. Gómez Tejedor ◽  
V. de Zea Bermudez ◽  
A. Andrio Balado ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Vinylidene Fluoride ◽  
Conformational Mobility ◽  
Electrical Conductivity Behavior ◽  
Poly Vinylidene Fluoride ◽  
Conductivity Behavior

Spatial-decomposition analysis of viscosity with application to Lennard-Jones fluid

2018 ◽  
Vol 148 (9) ◽  
pp. 094501 ◽  
Author(s):  
Kai-Min Tu ◽  
Kang Kim ◽  
Nobuyuki Matubayasi
Keyword(s):  
Decomposition Analysis ◽  
Spatial Decomposition ◽  
Lennard Jones

Supramolecular Organization of [TeCl6]2– with Ionic Liquid Cations: Studies on the Electrical Conductivity and Luminescent Properties

2018 ◽  
Vol 57 (9) ◽  
pp. 5282-5291 ◽  
Author(s):  
Nan-Nan Shen ◽  
Min-Lan Cai ◽  
Ying Song ◽  
Ze-Ping Wang ◽  
Fu-Quan Huang ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Luminescent Properties ◽  
Supramolecular Organization
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