Lignin is a major component of wood and is considered a renewable resource. However, it is a complex macromolecule that gives strength and rigidity to wood from its stable aromatic rings and network structure. Typically, it is used as a fuel source by burning which contributes to its carbon footprint. There is a large amount of interest in replacing petroleum products as feedstock compounds for the chemical industry, especially since lignin waste is a byproduct of the paper industry. A continuous flow electrocatalytic reactor has been designed to hydrolyze lignin into low weight molecular weight aromatic compounds. A second product of the reactor is hydrogen gas that may be used as a green fuel.<br/><br/>Because lignin does not have a well-defined structure and the hydrolysis products are complex chemometrics can help interpret the results and simplify the decisions in the reactor optimization. Lignin is solubilized in a basic solution of 1.0 M sodium hydroxide that also presents challenges for further analyses. Direct infusion mass spectrometry can provide hundreds of spectral peaks, so the use of factor analysis is very convenient for simplifying the data. The importance of optimization of the mass resolution and preprocessing will also be presented. For quantifying reactor yield, the generalized standard addition method was applied to ultraviolet spectra. This early and overlooked method will also be presented for the difficult task of measuring the extent of the lignin hydrolysis. Lastly, multivariate curve resolution will be demonstrated for revealing trends in the reactor's time profiles.

Chemometrics to guide the design of a lignin electrocatalytic reactor

2019 Fall National Meeting

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