Spectroscopic investigation of structure and dynamics of molecular systems and mathematical treatment of experimental data.

M. Kh. Salahov, D. I. Kamalova, S. S. Kharincev

Kazan State University

Abstract: Local dynamics of glassy polymers was investigated using proposed conformational probes method which is based on introducing small molecules (probes) in a polymer and following conformational dynamics in the probe molecules in different temperatures. The method allows one to estimate the effective sizes of free volume elements in glassy polymers. The decomposition of analytical absorption bands into elementary components was used when treating and interpreting composite molecular spectra. An approach based on the using of the continuous wavelet transform is considered. Within the framework of the approach we develop a numerical differentiation algorithm with continuous wavelets for improving resolution of composite molecular spectra.

UDC: 535.3+533.9

Received: 09.09.2005