Molecular dynamics simulations of a lithium/sodium carbonate mixture-Reference-Cited by-同舟云学术

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Molecular dynamics simulations of a lithium/sodium carbonate mixture

Published:2016-02-20 Issue:3 Volume:22 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Ottochian Alistar,Ricca Chiara,Labat Frederic,Adamo Carlo

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-016-2921-4.pdf

Reference33 articles.

1. Janz GJ, Lorenz MR (1961) Molten carbonate electrolytes: physical properties, structure, and mechanism of electrical conductance. J Electrochem Soc 108:1052–1058

2. Zarzycki J (1961) High-temperature x-ray diffraction studies of fused salts - structure of molten alkali carbonates and sulphates. Discuss Faraday Soc 32:38–48

3. Tomczyk P (1994) Kinetics of the oxygen electrode reaction in molten Li + Na carbonate eutectic part 7. effect of CO2 partial pressure on the linear scan voltammetric response for the reduction process at gold electrodes. J Electroanal Chem 379:353–360

4. Cassir M, Olivry M, Albin V, Malinowska B, Devynck J (1998) Thermodynamic and electrochemical behavior of nickel in molten Li2CO3Na2CO3 modified by addition of calcium carbonate. J Electroanal Chem 452:127–137

5. Kohara S, Badyal YS, Koura N, Idemoto Y, Takahashi S, Curtiss LA, Saboungi ML (1998) The structure of molten alkali carbonates studied by neutron diffraction and ab initio calculations. J Phys Condens Matter 10:3301–3308

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