Browsing HVL Open by Author "Torstensen, Jonathan Økland"
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Computational study of the dissolution of cellulose into single chains: the role of the solvent and agitation
Bering, Eivind; Torstensen, Jonathan Økland; Lervik, Anders; de Wijn, Astrid S. (Peer reviewed; Journal article, 2022)We investigate the dissolution mechanism of cellulose using molecular dynamics simulations in both water and a mixture solvent consisting of water with Na+, OH− and urea. As a first computational study of its kind, we apply ...