Quantitative determination of cellulose dissolved in 1-ethyl-3-methylimidazolium acetate using partial least squares regression on FTIR spectra
2012
Fitzpatrick, Michael | Champagne, Pascale | Cunningham, Michael F.
Rapid and quantitative measurements of cellulose concentrations in ionic liquids (ILs) are difficult. In this study, FTIR operated in attenuated total reflectance (ATR) mode was investigated as a tool to measure cellulose concentration in 1-ethyl-3-methylimidazolium acetate ([emim][OAc]) and the spectra were subjected to partial least squares (PLS) regression for the quantitative determination of cellulose content. Additionally, the spectra were subjected to 7 data preprocessing methods to reduce physical effects in the spectra. Peak normalization was found to be the technique that most improved the prediction of dissolved cellulose in [emim][OAc]. When peak normalization was used for data preprocessing, a model for the quantitative estimation of cellulose content between 0wt.% and 4wt.% with an error of 0.53wt.% was generated. The methods described here provide the basis for a rapid and facile technique for the determination of dissolved cellulose content in [emim][OAc].
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