Effect of Silica Surface on Hydrolysis of Acetylsalicylic Acid: Theoretical Simulation

Authors

  • E. M. Demianenko Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine

Abstract

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.

 

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(1)
Demianenko, E. M. Effect of Silica Surface on Hydrolysis of Acetylsalicylic Acid: Theoretical Simulation. Him. Fiz. Tehnol. Poverhni 2011, 2, 456-460.

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Vol. 2 No. 4 (2011): Chemistry, Physics and Technology of Surface / Himia, Fizika ta Tehnologia Poverhni

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