The oscillation of n-alkanes characteristic temperatures under the action the cluster structure of substance

Dmitry Tregubov

National University of Civil Defenсe of Ukraine

http://orcid.org/0000-0003-1821-822X

Elena Tarahno

National University of Civil Defenсe of Ukraine

http://orcid.org/0000-0001-9385-9874

Dmitry Sokolov

National University of Civil Defenсe of Ukraine

https://orcid.org/0000-0002-7772-6577

Flora Tregubova

National University of Civil Defenсe of Ukraine

https://orcid.org/0000-0003-2497-7396

DOI: https://doi.org/10.5281/zenodo.4400131

Keywords: clustering, interaction angle, matter structure, characteristic temperatures, oscillation, alkanes, electronic effects

Abstract

The term "cluster" was chosen to denote supramolecular formations. Attention is paid to the oscillatory nature of the dependence of the change in the substance properties in homologous series of organic compounds on the example of n-alkanes. It is shown that the increase in melting temperatures in the homologous series of n-alkanes has several levels of values periodicity, which are related to the «even-odd» of the molecules by the number of carbon atoms. The search for such deviations for the parameters "speed" and "acceleration" of temperature rise was also carried out. It is shown that there are no corresponding oscillation effects for boiling temperatures, which indicates a different principle of the structure of matter in the liquid states. The linear nature of the relationship between the melting and boiling points of n-alkanes, which also has oscillations, has been elucidated. A low level of correlation between these temperatures and the auto-ignition temperature of the substance was established. Empirical formulas have been developed to characterize the increase in the melting temperatures of n-alkanes with increasing molar mass or the number of carbon atoms in the molecule. These take into ac-count the effect of the formation of different clusters for "even" and "odd" molecules with a correlation coefficient of 0.9997. The difference in the characteristic temperatures of n-alkanes is explained by the presence or absence of an induction effect and different manifestations of the «quasi-mesomeric» effect for «even» and «odd» molecules. It is noted that for molecules of n-alkanes with a longer carbon chain length is characterized by coagulation into globules, which is accompanied by a decrease in the effect of «even-odd» of molecules. Emphasis is placed on the need to find clearer principles of mathematical consideration of "even-odd" molecules to predict the boiling point of n-alkanes.

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