The
aim of this work is to offer an universal analytical description
of the standard thermodynamic functions (primarily, C
P
°(T), S°(
T
), H°(T) – H°(T
r)), of solids with accuracy corresponding to experimental measurements.
The main advantage of a semiempirical method of approximation under
consideration consists in nonstandard usage of a linear combination
of well-known thermodynamic functions of the harmonic oscillator (Planck–Einstein
functions) unadjusted to the difference between isobaric and isochoric
values. The article provides a description of the method, a brief
theoretical analysis relating to its justification and opportunities,
and examples of specific applications. The article focuses on the
problem related to the practical application of thermodynamic
data, the problem of standard representation of standard thermodynamic
functions themselves. If the substance under investigations does not
undergo phase transformations within the temperature interval (0 to T) K and the reference temperature T
r ≤ T then the S°(T) and H°(T)–H°(T
r) functions are easy
to calculate on the basis of the values of C
P
°(T) and “frozen” configuration contributions
to entropy if they exist. For this reason, much attention is paid
to the dependence of the heat capacity of solids on the temperature.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.