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- 1ab initio molecular dynamics
- 1acid catalyzed biomass reactions
- 1biomass to chemicals
- 1density functional theory
- 1humins formation
- 1molecular dynamics
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Investigating acid-catalyzed biomass reactions and solvent effects in humins formation, using multiscale molecular modeling
DownloadFall 2023
The conversion of lignocellulosic biomass to produce chemicals has gained significant interest recently. A broad spectrum of specialty chemicals can be obtained from lignocellulose-derived molecules. One of the most promising reactions in this category is the dehydration of cellulose-derived...
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