Submitted to: Cellulose
Publication Type: Review Article
Publication Acceptance Date: 3/1/2003
Publication Date: 6/1/2003
Citation: French, A.D. 2004. Comments on the paper "The behavior of cellulose molecules in aqueous environments." Cellulose. 11:39-42.
Technical Abstract: Tanaka and Fukui published an article that precedes this one in the journal on a computational molecular dynamics simulation of five chains that gave non-physical results. This response was invited by the editor to promote further discussion of their findings and controversial conclusions. Unlike the crystallites observed in the solid state, the simulation produced a gel-like substance. Several factors could have been at fault, including an over-emphasis on hydrogen bonding. Contrary opinions to those of Tanaka and Fukui regarding the importance of hydrogen bonding, chain folding and the strain from two-fold screw symmetry were expressed.