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The analysis discovers the cluster structure of pure real gases and the
structural transition between different isomers of clusters, provides
knowledge of their bond parameters, and opens new features of
molecular interactions in gases.
The presence of clusters strongly influences properties of real gases.
It does not take into account the intermolecular forces, discussed by
Rowlinson (2002), which are responsible for condensation of matter. The
initial step of condensation is the formation of clusters in real gases.
approach
A widely used approach to molecular interactions is based on model
potentials. The MD methods to provide a satisfactory correspondence
to experimental data need in better knowledge of the molecular
interaction mechanisms than the widely used simplified models, like
the interaction potential. The simplification of molecular interaction
mechanisms in MD simulations does not permit to estimate
thermophysical properties at a level of experimental data precision.
So, we should first improve our knowledge of the molecular
interaction mechanisms and parameters basing on precise
experimental data.
hypothesis
Clusters is a key in understanding the properties of real gases.