Вплив поверхні кремнезему на гідроліз ацетилсаліцилової кислоти: теоретичне моделювання

Using methods of quantum chemistry, the mechanisms of hydrolytic degradation of acetylsalicylic acid have been considered in aqueous solution at pH values from 2 to 4 and from 4 to 8.5 as well as those involving silica surface. The results of calculations have been confirmed the experimental data on...

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Bibliographic Details
Date:2011
Main Author: Demianenko, E. M.
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2011
Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/133
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface
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Summary:Using methods of quantum chemistry, the mechanisms of hydrolytic degradation of acetylsalicylic acid have been considered in aqueous solution at pH values from 2 to 4 and from 4 to 8.5 as well as those involving silica surface. The results of calculations have been confirmed the experimental data on intramolecular catalysis of hydrolysis of acetylsalicylic acid at pH 4 to 8.5. It has been shown that the activation energy of surface reaction of hydrolysis is lower than that in aqueous solution due to specific interaction between silica surface and molecules of water and acetylsalicylic acid.