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

Article Russian OPEN
Савицкая (Savitskaya), Татьяна (Tat'yana) Александровна (Aleksandrovna); Резников (Reznikov), Иван (Ivan) Вадимович (Vadimovich); Гриншпан (Grinshpan), Дмитрий (Dmitriy) Давидович (Davidovich);
(2019)

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
Share - Bookmark