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Abstract
The model COSMO-RS (conductor-like screening model for realistic solvation) and molecular dynamics simulations conducted in GROMACS were used to gain insight into the structure and behaviour of CytroCell citrus nanocellulose in aqueous and more complex solutions, including in green solvent dihydrolevoglucosenone. DRIFT spectroscopy was also used to investigate the structure of CytroCell nanocellu-lose samples obtained via acoustic cavitation of lemon, orange, and red orange industrial processing waste. The computational and experimental results obtained are rele-vant to all forthcoming applications of this new family of nanocelluloses sustainably sourced from citrus industry’s main waste product via the CytroCav circular economy process.
Supplementary materials
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Supplementary Information
Description
Ten supplementary figures further illustrating findings reported in the main text of the study.
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