Published September 2021 | Version v1
Journal article

Computation of thermophysical properties of liquid metals and alloys on the basis of generalized version of hole theory

Description

Highlights: • Modification of Frenkel's hole theory has been applied to liquid metals and alloys. • Liquid metals Na, K, Rb, Cs, Sn and Pb and four alloys K-Rb, Na-Cs, Sn-Pb and Na-K. • Various expressions for rh,Vh, α, βT, Pint, Eh, ∆EV, ced, αvdw and u were derived. • Interaction study of alkali metal alloys with the help of hole theory. • The calculated and experimental values show excellent. A generalized version of hole theory, recently developed as a modification of Frenkel's hole theory has been applied successfully, for the first time, to six pure liquid metals (K, Rb, Na, Cs, Pb and Sn) and four liquid metal alloys (K-Rb, Na-Cs, Sn-Pb and Na-K) at different temperatures. Various expressions for rh,Vh, α, βT, Pint, Eh, ΔEV, ced, αvdw and u were derived for the pure liquid metals and alloys. The calculated and experimental values show excellent agreement demonstrating the success of the theory to the pure liquid metals and alloys.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2021.111284

Additional details

Identifiers

DOI
10.1016/j.chemphys.2021.111284;
PII
S0301010421001956;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
549
Journal Page Range
vp.
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54012315
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ALKALI METALS; ALLOYS; CALCULATION METHODS; INTERACTIONS; LIQUID METALS
Descriptors DEC
ELEMENTS; FLUIDS; LIQUIDS; METALS

Optional Information

Copyright
Copyright (c) 2021 Elsevier B.V. All rights reserved.