Effect of oscillatory flow on nucleation kinetics of butyl paraben

Yang, Huaiyu and Yu, Xi and Raval, Vishal and Makkawi, Yassir and Florence, Alastair (2016) Effect of oscillatory flow on nucleation kinetics of butyl paraben. Crystal Growth and Design, 16 (2). pp. 875-886. ISSN 1528-7483 (https://doi.org/10.1021/acs.cgd.5b01437)

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Abstract

More than 165 induction times of butyl paraben-ethanol solution in a batch moving fluid oscillation baffled crystallizer with various amplitudes (1-9 mm) and frequencies (1.0-9.0 Hz) have been determined to study the effect of COBR operating conditions on nucleation. The induction time decreases with increasing amplitude and frequency at power density below about 500 W/m3; however, a further increase of the frequency and amplitude leads to an increase of the induction time. The interfacial energies and pre-exponential factors in both homogeneous and heterogeneous nucleation are determined by classical nucleation theory at oscillatory frequency 2.0 Hz and amplitudes of 3 or 5 mm both with and without net flow. To capture the shear rate conditions in oscillatory flow crystallizers, a large eddy simulation approach in a computational fluid dynamics framework is applied. Under ideal conditions the shear rate distribution shows spatial and temporal periodicity and radial symmetry. The spatial distributions of the shear rate indicate an increase of average and maximum values of the shear rate with increasing amplitude and frequency. In continuous operation, net flow enhances the shear rate at most time points, promoting nucleation. The mechanism of the shear rate influence on nucleation is discussed.

ORCID iDs

Yang, Huaiyu ORCID logoORCID: https://orcid.org/0000-0002-3905-436X, Yu, Xi, Raval, Vishal ORCID logoORCID: https://orcid.org/0000-0002-0620-3525, Makkawi, Yassir and Florence, Alastair ORCID logoORCID: https://orcid.org/0000-0002-9706-8364;
  • Item type:Article
    ID code:56357
    Dates:
    Date
    Event
    3 February 2016
    Published
    28 December 2015
    Published Online
    23 December 2015
    Accepted
    Notes:This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acs.cgd.5b01437
    Keywords:computation theory, computational fluid dynamics, crystallizers, large eddy simulation, nucleation, parabens, shear deformation, classical nucleation theory, continuous operation, heterogebeous nucleation, nucleation kinetics, operating condition, oscillatory frequency, preexponential factor, temporal periodicity, shear flow, Chemistry, Chemistry(all), Materials Science(all), Condensed Matter Physics
    Subjects:Science > Chemistry
    Department:Faculty of Science > Strathclyde Institute of Pharmacy and Biomedical Sciences
    Technology and Innovation Centre > Continuous Manufacturing and Crystallisation (CMAC)
    Depositing user: Pure Administrator
    Date deposited:12 May 2016 08:39
    Last modified:15 Apr 2022 03:52
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/56357
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