Improving understanding of cellulose pyrolysis
Understanding the Raman Spectra of Cellobiose at Elevated Temperatures
Using a combination of classical and quantum techniques, we will simulate the Raman activity of cellobiose at a variety of temperatures. Raman spectra reveal vibrational and configurational information about molecules, and by comparing the simulated data to experimental data, we hope to gain a greater understanding of how cellulose behaves and breaks down at high temperature. This may suggest more efficient methods of cellulose pyrolysis, which could be a valuable source of clean, renewable fuel.
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