COMPUTER SIMULATION OF THE POROUS STRUCTURE OF HYDROLYSIS LIGNIN AND ITS HARD COMPO-SITES WITH COMPONENTS OF OIL FUELS AND WATER

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Савицкая (Savitskaya), Татьяна (Tat'yana) Александровна (Aleksandrovna); Резников (Reznikov), Иван (Ivan) Вадимович (Vadimovich); Гриншпан (Grinshpan), Дмитрий (Dmitriy) Давидович (Davidovich);
(2019)
  • Publisher: Altai State University
  • Journal: Khimiia rastitel'nogo syr'ia (Chemistry of plant raw material) (issn: 1029-5143, eissn: 1029-5151)
  • Publisher copyright policies & self-archiving
  • Related identifiers: doi: 10.14258/jcprm.2019013768
  • Subject: lignin | computer simulation | pore structure | лигнин | компьютерное моделирование | поровая структура

A fragment of the supramolecular structure of lignin was simulated by cross-linking the C546H600O196 structural units along the corresponding CH–bonds followed by geometric optimization by the Polac-Ribier’s conjugate gradient method in the MNDO field of the HyperChem 8... View more
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