Related Experiment Video
Updated: Aug 14, 2026

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
Published on: June 27, 2014
The KWW Relaxation Spectrum Determination Using the Post-Widder Inversion Formula
1Department of Technology Fundamentals, Faculty of Production Engineering, University of Life Sciences in Lublin, 20-612 Lublin, Poland.
Abstract:
The problem of recovering the relaxation spectrum of the process described by the stretched exponential Kohlrausch-Williams-Watts (KWW) model is considered using the Post-Widder Laplace transform inversion rule. Based on the specific properties of the stretched exponential function, an analytical formula was derived that describes an arbitrarily high-order Post-Widder approximation of the spectrum directly in terms of the relaxation modulus, without any-neither analytical nor numerical-differentiation of the modulus as a product of finite power series of the relaxation times and the relaxation modulus. An alternative recurrence formula defining a sequence of the Post-Widder approximate models of the relaxation spectrum was developed. The positive definiteness, multiple differentiability, and zero asymptotic properties of the spectrum model are demonstrated; its extreme properties are discussed, and a sensitivity analysis with respect to the model parameters is conducted. The developed algorithm ensures fast convergence of the generated model sequence by applying a simple adaptive rule to select subsequent model orders, which relates them to the discrepancy between successive models and results in high-order models in at most a dozen iterations. Detailed numerical studies performed for nine values of the stretching exponent for KWW spectra covering relaxation times from 3 to 41 decades show that the proposed approach allows for generating an excellent approximation of the KWW spectrum by using only the relaxation modulus values in simple algebraic calculations.
Related Concept Videos
UV–Vis Spectroscopy: Woodward–Fieser Rules
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
IR Spectrum Peak Broadening: Hydrogen Bonding
However, the extent of hydrogen bonding influences the observed stretching frequency and band broadening. Intermolecular or intramolecular hydrogen bonding...
UV–Vis Spectroscopy: Molecular Electronic Transitions
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

