Optimal seed recipe design for crystal size distribution control for batch cooling crystallisation processes

Aamir, Erum; Nagy, Zoltán K.; Rielly, Chris D.

doi:10.1016/j.ces.2010.02.051

Cited by 89 publications

(87 citation statements)

References 43 publications

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“…However, the process can itself provide variability in the measured growth rates [46][47][48] depending on the seed preparation techniques adopted and/or the size fraction selected and/or the seed concentration. The latter reflects the impact of these variables on the secondary nucleation process highlighting the value of having base-line face-specific growth rate studies on spontaneously nucleated crystal prepared under diffusion-controlled conditions.…”

Section: Overall Linear Growth Ratementioning

confidence: 99%

Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment

et al. 2014

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Article:Nguyen, TTH, Hammond, RB, Roberts, KJ et al. (2 more authors) (2014) Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment. CrystEngComm, 16 (21). 4568 -4586. ISSN 1466-8033 https://doi.org/10.1039/c4ce00097h eprints@whiterose.ac.uk https://eprints.whiterose.ac.uk/ Reuse Unless indicated otherwise, fulltext items are protected by copyright with all rights reserved. The copyright exception in section 29 of the Copyright, Designs and Patents Act 1988 allows the making of a single copy solely for the purpose of non-commercial research or private study within the limits of fair dealing. The publisher or other rights-holder may allow further reproduction and re-use of this version -refer to the White Rose Research Online record for this item. Where records identify the publisher as the copyright holder, users can verify any specific terms of use on the publisher's website. TakedownIf you consider content in White Rose Research Online to be in breach of UK law, please notify us by emailing eprints@whiterose.ac.uk including the URL of the record and the reason for the withdrawal request. acetonitrile. The crystal growth rates of the {001} and {011} faces of spontaneously nucleated crystals are precisely measured in-situ using optical microscopy revealing that their respective growth rates increase with increasing supersaturation to different extents, depending on the solvent type, with concomitant impact on the crystal habit. The measured aspect ratios, as a function of supersaturation, are generally higher at the 15 mL than the 0.5 mL scale size.Analysis of the growth rates versus supersaturation is consistent with a 2-D surface nucleation (Birth and Spread) model for both faces and at both scale sizes. The growth rates of the {001} and {011} faces exhibit much less growth rate dispersion when compared to literature data for a stirred batch crystallizer. 2The data is rationalized by examining the surface chemistry of the growing faces revealing, e.g. that polar protic solvents inhibit the growth rate of faces containing available binding sites for hydrogen bonding formation, such as carboxylic acid groups.

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Section: Overall Linear Growth Ratementioning

confidence: 99%

Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment

et al. 2014

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“…The growth kinetic parameters for potassium dichromate were identified based on other experiments reported in the literature 41 and are given in Table 4. Other relevant parameters are summarized in Table 2.…”

Section: Targeted Direct Design Approach Of Temperature Profiles Basementioning

confidence: 99%

Experimental Evaluation of the Targeted Direct Design of Temperature Trajectories for Growth-Dominated Crystallization Processes Using an Analytical Crystal Size Distribution Estimator

Aamir

Rielly

Nagy

2012

Ind. Eng. Chem. Res.

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The paper presents an experimental validation of a novel methodology for the systematic design of the set point operating curves for supersaturation-controlled, seeded crystallization processes, which produces a desired target crystal size distribution (CSD). The direct design approach is based on the idea of operating the system within the metastable zone (MSZ) bounded by the nucleation and the solubility curves. The proposed approach is based on an analytical CSD estimator, obtained by the analytical solution of the population balance equation for supersaturation-controlled growth-dominated processes. Based on the analytical estimator a design parameter for supersaturation-controlled processes is defined as a function of the supersaturation, time, and growth kinetics. Using the design parameter and the analytical CSD estimator, the temperature profiles in the time domain are determined to obtain a target distribution with a desired shape, while maintaining the constant supersaturation. The resulting temperature profile in the time domain can then be used as a set point for the temperature controller. This methodology provides a systematic targeted direct design approach for practical applications and scale-up. Experimental evaluations of two temperature trajectories designed with the proposed approach were carried out to achieve the desired target shape of the CSD. The experiments illustrate that the proposed targeted direct design approach can be used to systematically design different temperature trajectories and hence batch times, which lead to similar desired product CSD.

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“…Like MWD control in polymerization processes, many other industrial processes also have the problems that the product quality to be controlled is closely linked to output variables that need to follow certain distribution patterns, for example, particle size distribution (PSD) control in polymerization processes [13][14][15][16], pulp fibre length distribution control in paper industries [17], particulate process control in powder industries [18,19], crystal size distribution (CSD) control in crystallization processes [20][21][22], crystal size and shape distribution control of protein crystal aggregation in biopharmaceutical production [23], flame temperature distribution control in furnace systems [24,25], power PDF control in nuclear research reactors [26], and bubble size distribution control in flotation processes [27], to name a few. To tackle the control problems for such systems, the idea of output stochastic distribution control (SDC) or output PDF control has been proposed, in which the full shape of the output distribution is directly controlled [28][29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

Predictive PDF control in shaping of molecular weight distribution based on a new modeling algorithm

Zhang¹,

Yue²,

Zhou³

2015

Journal of Process Control

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a b s t r a c tThe aims of this work are to develop an efficient modeling method for establishing dynamic output probability density function (PDF) models using measurement data and to investigate predictive control strategies for controlling the full shape of output PDF rather than the key moments. Using the rational square-root (RSR) B-spline approximation, a new modeling algorithm is proposed in which the actual weights are used instead of the pseudo weights in the weights dynamic model. This replacement can reduce computational load effectively in data-based modeling of a high-dimensional output PDF model. The use of the actual weights in modeling and control has been verified by stability analysis. A predictive PDF model is then constructed, based on which predictive control algorithms are established with the purpose to drive the output PDF towards the desired target PDF over the control process. An analytical solution is obtained for the non-constrained predictive PDF control. For the constrained predictive control, the optimal solution is achieved via solving a constrained nonlinear optimization problem. The integrated method of data-based modeling and predictive PDF control is applied to closed-loop control of molecular weight distribution (MWD) in an exemplar styrene polymerization process, through which the modeling efficiency and the merits of predictive control over standard PDF control are demonstrated and discussed.Crown

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Optimal seed recipe design for crystal size distribution control for batch cooling crystallisation processes

Abstract: The paper presents a novel quality-by-design framework for the design of optimal seed recipes for batch cooling crystallisation systems with the aim to produce a desired target crystal size distribution (CSD)

Cited by 89 publications

References 43 publications

Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment

Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment

Experimental Evaluation of the Targeted Direct Design of Temperature Trajectories for Growth-Dominated Crystallization Processes Using an Analytical Crystal Size Distribution Estimator

Predictive PDF control in shaping of molecular weight distribution based on a new modeling algorithm

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