scholarly journals Calculation of the melting point of alkali halides by means of computer simulations

2012 ◽  
Vol 137 (10) ◽  
pp. 104507 ◽  
Author(s):  
J. L. Aragones ◽  
E. Sanz ◽  
C. Valeriani ◽  
C. Vega
Keyword(s):  
Melting Point ◽  
Computer Simulations ◽  
Alkali Halides

Studies on the freezing of pure liquids I. Critical supercooling in molten alkali halides

1960 ◽  
Vol 259 (1298) ◽  
pp. 325-340 ◽  
Keyword(s):  
High Temperature ◽  
Critical Temperature ◽  
Melting Point ◽  
Alkali Halide ◽  
Alkali Halides ◽  
Solid Particles ◽  
High Supersaturation ◽  
Chamber Temperature ◽  
Reduced Temperature ◽  
Heater Coil

A high-temperature cloud chamber is described in which a bead of alkali halide is supported on a heater coil mounted in the roof. By passing the current through the coil the temperature of the bead may be momentarily raised by several hundred degrees, producing salt vapour at high supersaturation. Condensation ensues in the presence of the inert supporting gas, and clouds of droplets or solid particles appear depending on the chamber temperature. Light scattered from the clouds under strong illumination is examined with a telescope, and the presence of crystalline particles is detected by their capacity to scintillate, or ‘twinkle’. It is found that twinkling in clouds of alkali halides appears sharply as the temperature is lowered below the melting point, defining a critical temperature of solidification for each salt. Reasons are given for regarding this temperature as the freezing threshold of molten salt droplets, for which supercoolings of about 150 °C are indicated. A reduced temperature, given by the ratio of the freezing threshold to the melting point, has the value of approximately 0.8 for all the alkali halides examined.

"Anomalous" Thermal Conductivity of Crystalline Alkali Halides Close to Their Melting Point

1993 ◽  
Vol 48 (4) ◽  
pp. 595-598 ◽  
Author(s):  
V. A. Khokhlov ◽  
A. O. Kodintseva ◽  
E. S. Filatov
Keyword(s):  
Thermal Conductivity ◽  
Steady State ◽  
Melting Point ◽  
Ionic Crystal ◽  
Characteristic Temperature ◽  
Ionic Composition ◽  
Alkali Halides ◽  
Coaxial Cylinders

Abstract The thermal conductivity of crystalline alkali halides MX (M = Li, Na, K, Rb, and Cs; X = C1, Br, and I) close to their melting point has been measured by the steady-state coaxial-cylinders method. It was found to change anomalously as the temperature varied. A minimum of the thermal conduc-tivity at a characteristic temperature depends on the ionic composition of the crystal. This effect is ascribed to the formation of cooperating defects in the melting lattice. An expression relating the thermal conductivity of the ionic crystal near the melting point to the concentration of these defects is proposed.

scholarly journals Systematically improved melting point prediction: a detailed physical simulation model is required

2019 ◽  
Vol 55 (80) ◽  
pp. 12044-12047 ◽  
Author(s):  
Marie-Madeleine Walz ◽  
David van der Spoel
Keyword(s):  
Melting Point ◽  
Simulation Model ◽  
Physical Simulation ◽  
Alkali Halides ◽  
Melting Points

Our detailed physical simulation model allows for an unprecedented and systematically improved prediction of melting points of alkali halides.

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