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The effects of supersaturation, temperature, agitation and seed surface area on secondary nucleation

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dc.contributor.author Frawley, Patrick J.
dc.contributor.author Mitchell, Niall A
dc.contributor.author Ó'Ciardha, Clifford Thomás
dc.contributor.author Hutton, Kieran W
dc.date.accessioned 2013-01-10T12:43:00Z
dc.date.available 2013-01-10T12:43:00Z
dc.date.issued 2012-01-01
dc.identifier.uri http://hdl.handle.net/10344/2803
dc.description peer-reviewed en_US
dc.description.abstract This work details the estimation of the secondary nucleation kinetics of paracetamol in ethanol solutions for cooling crystallisation processes, by means of isothermal under-seeded batch experiments. A numerical model, incorporating the population balance equation and the method of moments, has been developed to describe the seeding process for a typical cooling crystallisation process, accounting for the primary and secondary nucleation and subsequent crystal growth. Primary nucleation and growth kinetics have been previously evaluated from induction time experiments, and isothermal seeded batch experiments, respectively, allowing the secondary nucleation rate to be evaluated for a wide range of experimental conditions. The experimental technique involved the utilisation of two in-situ Process Analytical Techniques (PAT), with an Focused Beam Reflectance Measurement (FBRM®) utilised to qualitatively indicate the occurrence of secondary nucleation and an Attenuated Total Reflectance - Fourier Transform Infrared (ATRFTIR) probe employed for the online monitoring of solute concentration. Initial Particle Size Distributions (PSD) were used in conjunction with desupersaturation profiles to determine the secondary nucleation rate as a function of supersaturation, temperature and crystal surface area. Furthermore, the effects of agitation rate on the secondary nucleation rate were also investigated. Experimental parameters were compared to the model simulation, with the accuracy of the estimated secondary nucleation kinetics validated by means of the final product PSD and solute concentration. en_US
dc.language.iso eng en_US
dc.publisher Elsevier en_US
dc.relation.ispartofseries Chemical Engineering Science;75(18), pp. 183-197
dc.rights This is the author’s version of a work that was accepted for publication in Chemical Engineering Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Engineering Science, 75(18), pp. 183-197, http://dx.doi.org/10.1016/j.ces.2012.03.041 en_US
dc.subject pharmaceutical en_US
dc.subject nucleation en_US
dc.subject kinetics en_US
dc.title The effects of supersaturation, temperature, agitation and seed surface area on secondary nucleation en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.contributor.sponsor SFI en_US
dc.relation.projectid 07/SRC /B1158 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 1387870


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