섬유

Is the Folded-Chain Structure Possible in Cellulose Molecule?

  • 출판일2000.12
  • 저자
  • 서지사항
  • 등록일 2016.11.02
  • 조회수 245
A molecular dynamics simulation technique investigated the folded chain structures of the cellulose molecule. The simulation applied chain molecules based on the flexible ring structure model of glucose residues. Simulation near room temperature did not detect the conformational transitions of the ring structures. The optimized structures of cellulose chains did not have two-fold screw axis symmetries typically observed in the cellulose chains in the crystallites. As a result, fairly large stress energies were to be retained in the cellulose crystallites. Comparatively loose folded chain structures were also confirmed in the molecules of cellulose II crystallites formed after the creation of chain molecules. 17 refs.
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