Ionic conductivity of molten alkali-metal carbonates A2CO3 (A = Li, Na, K, Rb, and Cs) and binary mixtures (Li1−xCsx)2CO3 and (Li1−xKx)2CO3: A molecular dynamics simulation

Tetsu Kiyobayashi; Toshikatsu Kojima; Hiroyuki Ozaki; Kenji Kiyohara

doi:10.1063/1.5109912

Ionic conductivity of molten alkali-metal carbonates A2CO3 (A = Li, Na, K, Rb, and Cs) and binary mixtures (Li1−xCsx)2CO3 and (Li1−xKx)2CO3: A molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.5109912 ◽

2019 ◽

Vol 151 (7) ◽

pp. 074503

Author(s):

Tetsu Kiyobayashi ◽

Toshikatsu Kojima ◽

Hiroyuki Ozaki ◽

Kenji Kiyohara

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ionic Conductivity ◽

Alkali Metal ◽

Binary Mixtures ◽

Dynamics Simulation ◽

Alkali Metal Carbonates ◽

Metal Carbonates

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Interfacial properties of binary mixtures of Lennard-Jones chains in planar interfaces by molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/5.0042340 ◽

2021 ◽

Vol 154 (8) ◽

pp. 084704

Author(s):

Eder L. Granados-Bazán ◽

Sergio E. Quiñones-Cisneros ◽

Ulrich K. Deiters

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Lennard Jones

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Temperature and composition dependences of shear viscosities for molten alkali metal chloride binary systems by molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.10.062 ◽

2019 ◽

Vol 273 ◽

pp. 447-454 ◽

Cited By ~ 6

Author(s):

Jia Wang ◽

Cheng-Lin Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Alkali Metal ◽

Binary Systems ◽

Metal Chloride ◽

Dynamics Simulation ◽

Alkali Metal Chloride

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Molecular dynamics simulation of the temperature-dependent ionic conductivity in sodium(I)-.beta.''-alumina

Chemistry of Materials ◽

10.1021/cm00019a014 ◽

1992 ◽

Vol 4 (1) ◽

pp. 55-62 ◽

Cited By ~ 4

Author(s):

Cathy Lane Rohrer ◽

Gregory C. Farrington

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ionic Conductivity ◽

Dynamics Simulation ◽

Temperature Dependent ◽

Beta Alumina

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ChemInform Abstract: Limiting Ionic Conductivity of Na+ and Cl- Ions in Aqueous Solutions. Molecular Dynamics Simulation

ChemInform ◽

10.1002/chin.198715021 ◽

1987 ◽

Vol 18 (15) ◽

Author(s):

M. BERKOWITZ ◽

W. WAN

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ionic Conductivity ◽

Aqueous Solutions ◽

Dynamics Simulation

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Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation

Journal of the Physical Society of Japan ◽

10.1143/jpsj.72.2260 ◽

2003 ◽

Vol 72 (9) ◽

pp. 2260-2264 ◽

Cited By ~ 3

Author(s):

Saeed Yeganegi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Dependence ◽

Binary Mixtures ◽

Thermal Diffusion ◽

Dynamics Simulation ◽

Diffusion Factor ◽

Thermal Diffusion Factor ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium

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Molecular-dynamics simulation of directional growth of binary mixtures

Physical Review B ◽

10.1103/physrevb.59.3408 ◽

1999 ◽

Vol 59 (5) ◽

pp. 3408-3413 ◽

Cited By ~ 8

Author(s):

P. Z. Coura ◽

O. N. Mesquita ◽

B. V. Costa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Dynamics Simulation ◽

Directional Growth

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195Pt NMR and Molecular Dynamics Simulation Study of the Solvation of [PtCl6]2– in Water–Methanol and Water–Dimethoxyethane Binary Mixtures

Inorganic Chemistry ◽

10.1021/acs.inorgchem.8b01554 ◽

2018 ◽

Vol 57 (19) ◽

pp. 12025-12037 ◽

Cited By ~ 2

Author(s):

Leon Engelbrecht ◽

Francesca Mocci ◽

Aatto Laaksonen ◽

Klaus R. Koch

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Simulation Study ◽

Dynamics Simulation

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MOLECULAR DYNAMICS SIMULATION OF THE GLASS TRANSITION IN BINARY MIXTURES OF SOFT SPHERES

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1985848 ◽

1985 ◽

Vol 46 (C8) ◽

pp. C8-323-C8-327 ◽

Cited By ~ 1

Author(s):

B. Bernu ◽

Y. Hiwatari ◽

J. P. Hansen

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Dynamics Simulation ◽

Soft Spheres

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The limiting ionic conductivity of Na+and Cl−ions in aqueous solutions: Molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.452574 ◽

1987 ◽

Vol 86 (1) ◽

pp. 376-382 ◽

Cited By ~ 64

Author(s):

Max Berkowitz ◽

W. Wan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ionic Conductivity ◽

Aqueous Solutions ◽

Dynamics Simulation

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Structure, thermodynamics and diffusion in asymmetric binary mixtures: a molecular dynamics simulation study

Physics and Chemistry of Liquids ◽

10.1080/00319104.2017.1407932 ◽

2017 ◽

Vol 56 (5) ◽

pp. 685-701 ◽

Cited By ~ 2

Author(s):

Uday Kumar Padidela ◽

Tarun Khanna ◽

Raghu Nath Behera

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Simulation Study ◽

Dynamics Simulation ◽

And Diffusion

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