Morphology Prediction and Dissolution Behavior of α-Succinic Acid in Ethanol Solution Using Molecular Dynamic Simulation

Abstract:

Succinic acid is a potential co-former to produce co-crystal, thus an understanding of the dissolution behaviour of succinic acid crystal is crucial for designing the co-crystal. In this works, α-succinic acid was chosen as a model compound for this study regardless its attractive crystal chemistry and its diverse surface properties. The aims of this study are to analyse the morphology of succinic acid crystal (form A) and to analyse the dissolution behaviour of succinic acid crystal (form A) in the ethanol solution using molecular dynamic simulation. Prediction of form A succinic acid morphology were conducted with different combination of charge set and potential function i.e ESP and CVFF which produces hexagonal needle-like shape morphology and shows good agreement with the experimental crystal shape. Dissolution of α-succinic acid in ethanol solvent was investigated using dynamic simulation. Visual observation and mobility assessment shows that the molecules at the edge of the crystal tends to dissolve faster compared to the molecules at other position on the facet.

• Periodical: Key Engineering Materials (Volume 797)
• Pages: 139-148
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.797.139
• Online since: March 2019
• Authors: Muhamad Fitri Othman*, Nornizar Anuar, Siti Nurul'ain Yusop, Md Azmi Nik Salwani, Nurul Azreen Abd Samad
• Keywords: Dissolution, Molecular Dynamic Simulation, Morphology, α-Succinic Acid

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