Splines in physicochemical studies of liquid binary mixtures

  • Zdzisław Iwanow Institute of Fundamental Technological Research Polish Academy of Sciences
  • Jacek Bauer Institute of Fundamental Technological Research Polish Academy of Sciences
  • Małgorzata Jelińska-Kazimierczuk Warsaw University

Abstract

Physicochemical studies of the organic-water mixtures show that their properties are not linear functions of their concentration but depend on the mixture composition in various ways. The evaluation of the measurement results requires an interpolation of the experimental data and the derivatives of a mixture property with respect to concentration should be known as well. The results of measurements are disturbed by experimental error which causes the scatter of the approximated function values and oscillations of the approximating function derivatives. In the paper an application of the 3rd degree splines for the calculation of derivative and the interpolation for a non-uniform mesh are considered. Smoothing methods of an approximating function by means of splines are proposed. Some numerical examples illustrating the efficiency of the smoothing method and its applications are presented.


 

Keywords

splines, approximation, smoothing,

References

[1] L. Boje, A. Hvidt. Densities of aqueous mixtures of non-electrolytes. J. Chern. Thermodynamics, 3: 663- 673, 1971.
[2] Z. Iwanow, J. Bauer, J . Ronda. Splines in Two-dimensional Problems (in Polish). Prace IPPT - IFTR Reports, No.2, 1993.
[3] J.H. Ahlberg, E.N. Nilson, J .L. Welsh. The Theory of Splines and Their Applications. Academic Press, New York- London, 1967.
[4] J . Stoer, R. Bulirsch. Introduction to Numerical Analysis. Springer New York, 1983. [5] M. Jelińska-Kazimierczuk, J . Szydłowski. Effects of HID isotopic substitution on the physicochemical properties of amide- water mixtures. J. Solution Chem., accepted for publication.
Published
Mar 27, 2023
How to Cite
IWANOW, Zdzisław; BAUER, Jacek; JELIŃSKA-KAZIMIERCZUK, Małgorzata. Splines in physicochemical studies of liquid binary mixtures. Computer Assisted Methods in Engineering and Science, [S.l.], v. 8, n. 1, p. 169-182, mar. 2023. ISSN 2956-5839. Available at: <https://cames.ippt.pan.pl/index.php/cames/article/view/1198>. Date accessed: 22 nov. 2024.
Section
Articles