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RAS Chemistry & Material ScienceЖурнал физической химии Russian Journal of Physical Chemistry

  • ISSN (Print) 0044-4537
  • ISSN (Online) 3034-5537

APPROXIMATION OF ALTERNATING MELTING TEMPERATURES OF HOMOLOGS USING SECOND-ORDER RECURRENCE RELATIONS

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PII
S3034553725070127-1
DOI
10.7868/S3034553725070127
Publication type
Article
Status
Published
Authors
I. G. Zenkevich
  • Affiliation: St. Petersburg State University, Institute of Chemistry
Volume/ Edition
Volume 99 / Issue number 7
Pages
1063-1074
Abstract
The first-order recurrence relations ( + 1) = ( ) + are applicable for approximation of variations of various properties of organic compounds () in homologous series, otherwise, depending on the number of carbon atoms in molecules, . However, they are unsuitable for approximation of melting temperatures ( ) because of the alteration of their values in homologues with even and odd number of carbon atoms in molecules for many series. It is confirmed that the solution of this problem is possible using the second-order recurrence relations, ( + 2) = ( ) + . An explanation of this fact is proposed: the algebraic nonrecurrence solution of this recurrence equation contains the denominator (–√), the sign of which is a function of parity or oddness of the number of carbon atoms in the molecule. Such kind of functions for characterization of alternating properties of homologues is proposed for the first time. It is shown that in order to achieve the greatest accuracy of approximation, preliminary statistical processing of values from different sources with calculation of mean values, their standard deviations, and rejection of unreliable data is necessary. As an example of such processing, the example of of -alkancarboxylic acids with 0 ≤ ≤ 35 is considered in detail. The errors of the recurrence approximation of homologues by the characterized method do not exceed the standard deviations of randomized interlaboratory data.
Keywords
гомологи температура плавления альтернирование значений аппроксимация рекуррентные соотношения второго порядка
Date of publication
27.01.2025
Year of publication
2025
Number of purchasers
0
Views
51

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