An Empirical Corresponding States Correlation of Densities and Transport Properties of 1-1 Alkali Metal Molten Salts

1971 ◽  
Vol 10 (3) ◽  
pp. 418-423 ◽  
Author(s):  
Robert E. Young ◽  
John P. O'Connell
Keyword(s):  
Alkali Metal ◽  
Transport Properties ◽  
Molten Salts ◽  
Corresponding States

A corresponding-states approach for the calculation of the transport properties of uni-univalent molten salts

2001 ◽  
Vol 33 (4) ◽  
pp. 397-404 ◽  
Author(s):  
Nuno Galamba ◽  
Carlos Nieto de Castro ◽  
Isabel Marrucho ◽  
James Ely
Keyword(s):  
Transport Properties ◽  
Molten Salts ◽  
Corresponding States

Corresponding states correlation of transport properties of uniunivalent molten salts

1988 ◽  
Vol 27 (6) ◽  
pp. 1042-1049 ◽  
Author(s):  
Yutaka Tada ◽  
Setsuro Hiraoka ◽  
Tomokazu Uemura ◽  
Makoto Harada
Keyword(s):  
Transport Properties ◽  
Molten Salts ◽  
Corresponding States

scholarly journals Viscosity analysis of alkali metal carbonate molten salts at high temperature

2015 ◽  
Vol 123 (1437) ◽  
pp. 355-358 ◽  
Author(s):  
Sun Woog KIM ◽  
Kazuyoshi UEMATSU ◽  
Kenji TODA ◽  
Mineo SATO
Keyword(s):  
High Temperature ◽  
Alkali Metal ◽  
Molten Salts ◽  
Alkali Metal Carbonate ◽  
Metal Carbonate

ChemInform Abstract: Room Temperature Inorganic “Quasi-Molten Salts” as Alkali-Metal Electrolytes.

ChemInform ◽  
2010 ◽  
Vol 28 (12) ◽  
pp. no-no
Author(s):  
K. XU ◽  
S. ZHANG ◽  
C. A. ANGELL
Keyword(s):  
Alkali Metal ◽  
Molten Salts ◽  
Room Temperature

Ab Initio Estimation of NbF−6 , NbClF2−6 , and NbF2− 7 Complexes Stability in Alkali Chloride Melts

2010 ◽  
Vol 65 (11) ◽  
pp. 1020-1026 ◽  
Author(s):  
Vyacheslav G. Kremenetsky ◽  
Sergey A. Kuznetsov ◽  
Olga V. Kremenetskaya ◽  
Veniamin V. Soloviev ◽  
Lyudmila A. Chernenko ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Relative Stability ◽  
Quantum Chemical ◽  
Molten Salts ◽  
Alkali Chloride ◽  
Chlorine Anion ◽  
The Third ◽  
Chloride Melts ◽  
Stable Particles ◽  
Particle Geometry

Quantum-chemical calculations of the parameters of the nM+・NbClF2−6 type particles have been performed, where M stands for Na, K, Cs and n = 0 - 6. Under certain conditions such particles may exist in melts of alkali metal chlorides.Within the framework of this approximation, compositions for themost stable particles in molten salts were obtained. Relative stability of the particles containing the NbF−6 , NbClF2−6 , and NbF2−7 complexes has been calculated. Energies and some other characteristics of the electron structure and the particle geometry structure were determined depending on the n and M values. For estimation of the third sphere’s influence, the systems (M2NbF7 +8MCl) and (M2NbF7 +15MCl) are surveyed. The chlorine anion enters the first coordination sphere in the Nasystem only, i. e. in this system the true complex NbClF3−7 is formed.

An Estimation of Thermodynamic and Transport Properties of Cryogenic Hydrogen Using Classical Molecular Simulation

2011 ◽  
Author(s):  
Hiroki Nagashima ◽  
Takashi Tokumasu ◽  
Shin-ichi Tsuda ◽  
Nobuyuki Tsuboi ◽  
Mitsuo Koshi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Molecular Simulation ◽  
Potential Model ◽  
Classical Method ◽  
Quantum Effect ◽  
Corresponding States ◽  
Density Region ◽  
Lennard Jones ◽  
Thermodynamic And Transport Properties

In this paper, we estimated the thermodynamic and transport properties of cryogenic hydrogen using classical molecular simulation to clarify the limit of classical method on the estimation of those properties of cryogenic hydrogen. Three empirical potentials, the Lennard-Jones (LJ) potential, two-center Lennard-Jones (2CLJ) potential, and modified Buckingham (exp-6) potential, and an ab initio potential model derived by the molecular orbital (MO) calculation were applied. Molecular dynamics (MD) simulations were performed across a wide density-temperature range. Using these data, the equation of state (EOS) was obtained by Kataoka’s method, and these were compared with NIST (National Institute of Standards and Technology) data according to the principle of corresponding states. Moreover, we investigated transport coefficients (viscosity coefficient, diffusion coefficient and thermal conductivity) using time correlation function. As a result, it was confirmed that the potential model has a large effect on the estimated thermodynamic and transport properties of cryogenic hydrogen. On the other hand, from the viewpoint of the principle of corresponding states, we obtained the same results from the empirical potential models as from the ab initio potential, showing that the potential model has only a small effect on the reduced EOS: the classical MD results could not reproduce the NIST data in the high-density region. This difference is thought to arise from the quantum effect in actual liquid hydrogen.

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