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Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation
Alsirawan, M.B. Lai, X. Prohens, R. Vangala, Venu R. Pagire, Sudhir K. Petroc, S. Bannan, T.J. Topping, D.O.
Alsirawan, M.B.
Lai, X.
Prohens, R.
Vangala, Venu R.
Pagire, Sudhir K.
Petroc, S.
Bannan, T.J.
Topping, D.O.
Publication Date
2020-12-02
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(c) 2020 ACS. Full-text reproduced in accordance with the publisher's self-archiving policy.
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2020-10-27
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Abstract
The main objective of this research is to investigate solid-state destabilization mechanism and kinetics of the model cocrystal caffeine : malonic acid (CA:MO) in presence of oxalic acid (OX) as a structural competitor. Competitive destabilization of CA:MO and subsequent formation of CA:OX takes place at temperatures significantly below its melting point. Destabilization mechanism was found to be mediated by sublimation of both CA:MO and OX. During CA:MO destabilization, free CA could not be detected and direct transformation to CA:OX cocrystal was observed. The destabilization kinetics follow Prout-Tompkins nucleation and crystal growth model with activation energy of 133.91 kJ/mol and subsequent CA:OX growth kinetic follow Ginstling – Brounshtien diffusion model with activation energy of kJ/mol.
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Accepted manuscript
Citation
Alsirawan MB, Lai X, Prohens R et al (2020) Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation. Crystal Growth and Design. 20(12): 7598-7605.
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Article