Aqueous environment and polymorphism influence on the physicochemical properties of modified succinic acid.
Inna L. Plastun, 1, Alexander. A. Zakharov, 1, Lev M. Babkov, 2, Ruslan. Yu. Yakovlev, 3
1 Yu. A. Gagarin Saratov State Technical University, Saratov, Russia
2 Saratov National Research State University named after N.G. Chernyshevsky, Saratov, Russia
3 OOO "Smart Polymorph Technologies", Moscow, Russia
Abstract
Using molecular modeling by the B3LYP density functional theory method with a base set of 6-31G (d), an analysis of the spectral manifestations of the conformational polymorphism of succinic acid and the influence of the aqueous environment on its energy characteristics of succinic acid monomers. Based on the results of the interaction of succinic acid with water molecules, we can conclude that during the production of polymorphic modifications, after the freeze-drying stage, water molecules are present in the modified succinic acid. In turn, the presence of interaction of succinic acid with water molecules promotes stronger hydrogen bonding, which leads to a change in the physicochemical properties of succinic acid.
Speaker
Zakharov A.A.
Yuri Gagarin State Technical University of Saratov
Russia
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