Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation
dc.contributor.author | Alsirawan, M.B. | |
dc.contributor.author | Lai, X. | |
dc.contributor.author | Prohens, R. | |
dc.contributor.author | Vangala, Venu R. | |
dc.contributor.author | Pagire, Sudhir K. | |
dc.contributor.author | Petroc, S. | |
dc.contributor.author | Bannan, T.J. | |
dc.contributor.author | Topping, D.O. | |
dc.contributor.author | Paradkar, Anant R | |
dc.date.accessioned | 2021-01-12T08:53:55Z | |
dc.date.accessioned | 2021-01-13T07:58:02Z | |
dc.date.available | 2021-01-12T08:53:55Z | |
dc.date.available | 2021-01-13T07:58:02Z | |
dc.date.issued | 2020-12-02 | |
dc.identifier.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. | |
dc.identifier.uri | http://hdl.handle.net/10454/18305 | |
dc.description | Yes | |
dc.description.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. | |
dc.language.iso | en | en |
dc.publisher | American Chemical Society | |
dc.rights | (c) 2020 ACS. Full-text reproduced in accordance with the publisher's self-archiving policy. | |
dc.subject | Model fitting | |
dc.subject | Cocrystal | |
dc.subject | Destabilisation kinetics | |
dc.title | Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation | |
dc.status.refereed | Yes | |
dc.date.application | 2020-10-27 | |
dc.type | Article | |
dc.type.version | Accepted manuscript | |
dc.identifier.doi | https://doi.org/10.1021/acs.cgd.0c01246 | |
dc.rights.license | Unspecified | |
dc.date.updated | 2021-01-12T08:53:59Z | |
refterms.dateFOA | 2021-01-13T08:44:48Z | |
dc.openaccess.status | openAccess | |
dc.date.accepted | 2020-10-27 |