Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation
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2020-12-02Author
Alsirawan, M.B.Lai, X.
Prohens, R.
Vangala, Venu R.
Pagire, Sudhir K.
Petroc, S.
Bannan, T.J.
Topping, D.O.
Paradkar, Anant R
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(c) 2020 ACS. Full-text reproduced in accordance with the publisher's self-archiving policy.Peer-Reviewed
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openAccess
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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.Version
Accepted manuscriptCitation
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.Link to Version of Record
https://doi.org/10.1021/acs.cgd.0c01246Type
Articleae974a485f413a2113503eed53cd6c53
https://doi.org/10.1021/acs.cgd.0c01246