會議Poster

Applications of Mixture Analysis to FT-IR Spectra of Multi-Component Polymeric Systems

Introduction

IR spectral identification of multi-component samples is a challenging process:

?  Highly overlapping peaks?  Lack of specific component knowledge

?  Assignment of functional groups to a specific component

?  Time intensive one-component-at-a-time spectrum analysis

KnowItAll ? mixture analysis effectively addresses IR spectral identification of multi-component samples.

Mixture analysis is a mathematical process to extract:

?  Combinations of IR spectra in a library database

?  Simultaneously minimizing the residual relative to the unknown IR spectrum

Mixture analysis results:

?  Provide a series of potential unknown component IR spectra for evaluation

?  Improve data mining efficiency

?  Simplify search results evaluation

Conclusions

IR spectral identification of multi-component samples lends itself to a combination approach using mixture analysis and simple spectral search.

High degree of module interconnectivity.

Integrated with all other functionalities of KnowItAll ? .

?  Individual module provide partial answers

?  In totality a systematic and efficient analysis

Applicable to a wide variety of spectral identification problems.