Method and apparatus for absorption spectra analysis

摘要

A method and apparatus is disclosed for resolving absorption spectra such as ultraviolet or visible spectra having individual peaks attributable to more than one component in a sample mixture. The invention exploits the observation that the peak wavelength varies according to the component concentrations, providing the basis for an initial estimate of these. A curve fitting exercise is performed for a range of possible concentrations encompassing the initial estimates so that the a theoretical spectrum having the closest match to that observed provides for a refined estimate of component concentrations.

主权项

1. A method of estimating the respective concentrations [X] and [Y] of at least two components, X and Y, in a solution, the method comprising:
acquiring absorption spectra for a plurality of solutions comprising variable concentrations of X and Y and thereby generating a library of reference data; acquiring an absorption spectrum for the solution; determining the wavelength, λmax, at which maximum absorbance occurs within a first wavelength range of the absorbance spectrum for the solution; and comparing λmax with the reference data to derive first estimates of [X] and [Y].