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Chemistry for Sustainable Development

2016 year, number 2

Modelling of the Interaction of Silicon Oxide with Diphenol Derivatives. The Inertia Radius of the System

Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze18, Novosibirsk 630128 (Russia)
Keywords: радиус инерции, сегмент Куна, фрактальная размерность, дифенольные производные оксида кремния, inertia radius, Coon segment, fractal dimension, diphenolic derivatives of silicon oxide


Products of the interaction of diphenolic compounds (diph) hydroquinone, resorcinol, pyrocatechin with silicon oxide with the formation of chains of the general formula diph-(Si(OH)2-diph) n were studied by means of computer modeling. For each compound, inertia radius and other spatial characteristics were calculated; the fractal dimensionality was determined within the row of compounds. It was concluded on the basis of the results that for the compounds of hydroquinone and resorcinol series the shape of the polymer chain is a rod, while for the pyrocatechin series its shape is a stochastic clew.