Structure and transport phenomena of non-aqueous electrolyte in Al ion batteries -Study by molecular dynamics-

Mapping Intimacies ◽

10.1063/5.0058316 ◽

2021 ◽

Author(s):

S. Matsunaga

Keyword(s):

Molecular Dynamics ◽

Aqueous Electrolyte ◽

Transport Phenomena

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Molecular dynamics simulations of aqueous electrolyte solutions

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)92096-6 ◽

1980 ◽

Vol 40 ◽

pp. X41-X42

Author(s):

K. Heinzinger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Electrolyte ◽

Electrolyte Solutions ◽

Aqueous Electrolyte Solutions ◽

Dynamics Simulations

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Nanoscale Transport Phenomena in PEM of PEFC by Large Scale Molecular Dynamics Simulations

ECS Transactions ◽

10.1149/05002.0859ecst ◽

2013 ◽

Vol 50 (2) ◽

pp. 859-868 ◽

Author(s):

T. Tokumasu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Large Scale ◽

Transport Phenomena ◽

Nanoscale Transport ◽

Dynamics Simulations

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Molecular Dynamics Calculation of Interaction Forces between Colloids in Aqueous Electrolyte Solutions Using an Implicit Solvent Model

KAGAKU KOGAKU RONBUNSHU ◽

10.1252/kakoronbunshu.31.295 ◽

2005 ◽

Vol 31 (5) ◽

pp. 295-300 ◽

Author(s):

Shintaro Morisada ◽

Kenji Muranishi ◽

Hiroyuki Shinto ◽

Ko Higashitani

Keyword(s):

Molecular Dynamics ◽

Aqueous Electrolyte ◽

Electrolyte Solutions ◽

Implicit Solvent ◽

Interaction Forces ◽

Implicit Solvent Model ◽

Aqueous Electrolyte Solutions ◽

Solvent Model ◽

Dynamics Calculation

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Molecular dynamics simulations of aqueous electrolyte solutions

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)95084-9 ◽

1983 ◽

Vol 79 ◽

pp. 57-58 ◽

Author(s):

K. Heinzinger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Electrolyte ◽

Electrolyte Solutions ◽

Aqueous Electrolyte Solutions ◽

Dynamics Simulations

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Modeling Metal Dissolution in Aqueous Electrolyte: Hartree-Fock and Molecular Dynamics Calculations

ACS Symposium Series - Solid-Liquid Interface Theory ◽

10.1021/bk-2001-0789.ch005 ◽

2001 ◽

pp. 51-65

Author(s):

R. I. Eglitis ◽

S. V. Izvekov ◽

M. R. Philpott

Keyword(s):

Molecular Dynamics ◽

Aqueous Electrolyte ◽

Metal Dissolution ◽

Hartree Fock ◽

Molecular Dynamics Calculations

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Phase behavior and physico-chemical properties of aqueous electrolyte solutions near the critical point via molecular dynamics simulation with gravity perturbation

Fluid Phase Equilibria ◽

10.1016/s0378-3812(01)00777-4 ◽

2002 ◽

Vol 194-197 ◽

pp. 271-280 ◽

Author(s):

Tetsuo Honma ◽

Shunsuke Kuzuhara ◽

Chee Chin Liew ◽

Hiroshi Inomata

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Behavior ◽

Critical Point ◽

Aqueous Electrolyte ◽

Chemical Properties ◽

Electrolyte Solutions ◽

Dynamics Simulation ◽

Physico Chemical ◽

Gravity Perturbation

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MOLECULAR DYNAMICS STUDY OF WATER VAPOR ABSORPTION INTO AN AQUEOUS ELECTROLYTE SOLUTION

Microscale Thermophysical Engineering ◽

10.1080/108939599199819 ◽

1999 ◽

Vol 3 (2) ◽

pp. 151-165 ◽

Author(s):

H. Daiguji, E. Hihara

Keyword(s):

Molecular Dynamics ◽

Water Vapor ◽

Electrolyte Solution ◽

Aqueous Electrolyte ◽

Aqueous Electrolyte Solution ◽

Water Vapor Absorption ◽

Vapor Absorption

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Molecular dynamics simulations of concentrated aqueous electrolyte solutions

Molecular Simulation ◽

10.1080/08927022.2010.525513 ◽

2011 ◽

Vol 37 (2) ◽

pp. 123-134 ◽

Author(s):

Carles Calero ◽

Jordi Faraudo ◽

Marcel Aguilella-Arzo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Electrolyte ◽

Electrolyte Solutions ◽

Aqueous Electrolyte Solutions ◽

Dynamics Simulations

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Effect of Water on Molecular and Transport Phenomena Behaviors of [Bmim][Ac]/Water/CO2, Using Molecular Dynamics Strategy

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c02028 ◽

2020 ◽

Vol 124 (34) ◽

pp. 7368-7378

Author(s):

Mahsa Aghaie ◽

Nima Rezaei ◽

Sohrab Zendehboudi

Keyword(s):

Molecular Dynamics ◽

Transport Phenomena ◽

Effect Of Water

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Molecular Simulations of Aqueous Electrolyte Solubility: 1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase

The Journal of Physical Chemistry B ◽

10.1021/jp0507492 ◽

2005 ◽

Vol 109 (26) ◽

pp. 12956-12965 ◽

Author(s):

Martin Lísal ◽

William R. Smith ◽

Jiří Kolafa

Keyword(s):

Molecular Dynamics ◽

Aqueous Electrolyte ◽

Molecular Simulations ◽

Molecular Dynamics Method ◽

Solution Phase ◽

Dynamics Method ◽

Expanded Ensemble

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