In order to investigate molecular interactions and cluster
parameters, a computer-aided analysis of thermophysical data from electronic
databases for pure gases has been developed. As an advanced forum for education
in thermodynamics, pure gases can be used. This method is based on the
corresponding expansion of thermophysical values by degrees of monomer fraction
density in the Mass Action Law sequence. In this process, the series expansion
terms directly represent the properties of the corresponding cluster fractions,
unlike the viral expansion by total density powers. Among thermophysical
properties, internal energy was selected as the most informative for this
process. The thermal analysis of its series expansion coefficients allows the
temperature dependencies of the parameters of the pair bond, the bond energies
of the clusters and the equilibrium constants, the soft structural transitions
between the dominant cluster isomers, to be calculated. The application of the
method to various pure gases, including van der Waals noble and molecular
gases, and polar molecular interactions, brings the characteristics of unknown
clusters of gases under investigation. The Thermal Area No trivial isotopic effects are shown by the
study of ordinary and heavy water vapours. In addition to dispersion forces,
the unpredictable growth of pair bond energy with temperature in Alkanes points
to the presence of certain unknown molecular interaction forces in
hydrocarbons. High bond-energy values for polar molecular clusters open up
opportunities for alternative investigative approaches, including spectroscopic
methods. The complex use of computer-added methods of analysis and spectroscopy
can be very productive.
Author (s) Details
Boris Sedunov
Computer and Information Systems Department, Russian New University
(ROSNOU) Moscow, Russia.
View Book :- https://bp.bookpi.org/index.php/bpi/catalog/book/371
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