A kinetic model for crystal growth from aqueous solution in the presence of impurity

Kubota, Noriaki; Mullin, J.W.

doi:10.1016/0022-0248(95)00128-x

Cited by 257 publications

(300 citation statements)

References 4 publications

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“…,10% = 1.56 • 10 −9 0.051 (4) where is the temperature expressed in K and is the solubility in g/g solvent. The procedure used was identical to the one described in the previous section, samples were taken and analysed off-line.…”

Section: Methodsmentioning

confidence: 99%

“…A common model to describe the rate of crystal growth in solution in the presence of impurities was proposed in the late nineties by Kubota and Mullin [1] [4]. The equations are based on the pinning mechanism of Cabrera and Vermilyea for the inhibition of step advancement considering one-dimensional adsorption of the impurities on the step lines.…”

Section: Introductionmentioning

confidence: 99%

“…The equations are based on the pinning mechanism of Cabrera and Vermilyea for the inhibition of step advancement considering one-dimensional adsorption of the impurities on the step lines. The model has been successfully used to quantitatively describe the growth rate of organic and inorganic compounds in the presence of impurities [4] [10].…”

Section: Introductionmentioning

confidence: 99%

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A study on the effect of the polymeric additive HPMC on morphology and polymorphism of ortho-aminobenzoic acid crystals

Simone

Cenzato

Nagy

2016

Journal of Crystal Growth

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Citation: SIMONE, E., CENZATO, M. and NAGY, Z., 2016. A study on the effect of the polymeric additive HPMC on morphology and polymorphism of ortho-aminobenzoic acid crystals. Journal of Crystal Growth, 446, Additional Information:• This paper was accepted for publication in the journal Journal of AbstractIn the present study, the effect of Hydroxy Propyl Methyl Cellulose (HPMC) on the crystallization of ortho-aminobenzoic acid (OABA) was investigated by seeded and unseeded cooling crystallization experiments. The influence of HPMC on the induction time, crystal shape of Forms I and II of OABA and the polymorphic transformation time was studied.Furthermore, the capability of HPMC to inhibit growth of Form I was evaluated quantitatively and modelled using population balance equations (PBE) solved with the method of moments. The additive was found to strongly inhibit nucleation and growth of Form I as well as to increase the time for the polymorphic transformation from Form II to I.Solvent was also found to influence the shape of Form I crystals at equal concentrations of HPMC. In situ process analytical technology (PAT) tools, including Raman spectroscopy, focused beam reflectance measurement (FBRM) and attenuated total reflectance (ATR) UVVis spectroscopy were used in combination with off-line techniques, such as optical microscopy, scanning electron microscopy (SEM), Raman spectroscopy, MalvernMastersizer and differential scanning calorimetry (DSC) to study the crystals produced. The results illustrate how shape, size and stability of the two polymorphs of OABA can be controlled and tailored using a polymeric additive.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

A study on the effect of the polymeric additive HPMC on morphology and polymorphism of ortho-aminobenzoic acid crystals

Simone

Cenzato

Nagy

2016

Journal of Crystal Growth

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“…Along with the success of using molecular modelling to explain the mechanism for the effect of impurities on crystallisation, kinetics relating the concentration of the added impurity as well as the supersaturation and faceted growth rates of crystals was also studied in literature. Kubota and Mullin proposed a kinetic model, the Kubota-Mullin model, to describe the faceted crystal growth rate as a function of impurity concentration [195]. KubotaMullin model or similar kinetic models were further applied in literature to quantify the macro-scale effect of CGMs on faceted growths of various crystals including sodium chloride, hydroquinone, sucrose and LGA.…”

Section: Manipulated Variables For Crystal Shape Optimisation and Conmentioning

confidence: 99%

Measurement, modelling, and closed-loop control of crystal shape distribution: Literature review and future perspectives

2016

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Crystal morphology is known to be of great importance to the end-use properties of the crystal product and affect the down-stream processing such as in filtration and drying, but was previously regarded as too challenging to achieve automatic closed-loop control. As a consequence, previous work has focused on control the crystal size distribution (CSD) where the size of a crystal is often defined as the diameter of a sphere that has the same volume of the crystal. This paper reviews very promising new advances made in recent years in morphological population balance models for modelling and simulation of crystal shape distribution (CShD), measurement and estimation of crystal facet growth kinetics, as well as in 2D and 3D imaging for on-line characterisation of crystal morphology and CShD. A framework is presented integrating various components in order to achieve the ultimate objective of model-based closed-loop control of CShD. The knowledge gaps and challenges that require further research are also identified.

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“…Kinetic factors can have large effects on this direct equilibrium picture. Impurity sorbants can interfere with addition of new species to a growth step, hence poisoning the growth (Van Enckevort et al, 1996;Kubota and Mullin, 1995). Impurities can also affect growth of secondary phases by influencing nucleation kinetics (Liu et al, 1997).…”

Section: Growth Morphologiesmentioning

confidence: 99%

Nucleation, Growth, and Aggregation of Mineral Phases: Mechanisms and Kinetic Controls

Benning

Waychunas

2008

Kinetics of Water-Rock Interaction

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The formation of any phase, whether natural or synthetic (Fig. 7.1), is usually a disequilibrium process that follows a series of steps until a thermodynamically stable state (equilibrium) is achieved. The first step in the process of creating a new solid phase from a supersaturated solution (either aqueous or solid) is called nucleation. A particle formed by the event of nucleation usually has a poorly ordered and often highly hydrated structure. This particle is metastable with respect to ordering into a well-defined phase, which can accompany growth of the particle. This process of initiation of a new phase is defined as a first order transition and can follow various pathways involving a host of mechanisms. One of these pathways occurs when individual nuclei coalesce into larger clusters, a process defined as aggregation, which itself can follow a series of different pathways. The new phase is thermodynamically defined when the growing nucleus or aggregate has distinct properties relative to its host matrix; for example, a well-defined crystal structure, composition and/or density. These processes depend on a plethora of chemical and physical parameters that control and strongly affect the formation of new nuclei, the growth of a new crystal, or the aggregation behavior of clusters, and it is these issues that will be the focus of this chapter. We will discuss the mechanisms and rates of each process as well as the methods of quantification or modeling from the point of view of existing theoretical understanding. Each step will be illustrated with natural examples or laboratory experimental quantifications. Complementary to the information in this chapter, a detailed analysis of the mechanisms and processes that govern dissolution of a phase are discussed in detail in Chap. 5 and more detailed information about molecular modeling approaches are outlined in Chap. 2.

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A kinetic model for crystal growth from aqueous solution in the presence of impurity

Cited by 257 publications

References 4 publications

A study on the effect of the polymeric additive HPMC on morphology and polymorphism of ortho-aminobenzoic acid crystals

A study on the effect of the polymeric additive HPMC on morphology and polymorphism of ortho-aminobenzoic acid crystals

Measurement, modelling, and closed-loop control of crystal shape distribution: Literature review and future perspectives

Nucleation, Growth, and Aggregation of Mineral Phases: Mechanisms and Kinetic Controls

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