Predicting particle morphology on the basis of the root molecular and crystal structure

Walker, Elaine

doi:10.1016/s1359-0286(96)80066-0

Cited by 8 publications

(4 citation statements)

References 53 publications

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“…A number of comprehensive reviews on the background and applications of crystal morphological modeling can be found in literature. 9,33,34 In summary, the whole evolution of research in the crystal shape modeling arena shows an optimistic future in the way to develop more realistic shape predictions. However, it is worth noting that almost all of the previous research has focused on the prediction of the shape of isolated single crystals, rather than on the broader behavior of a defined population of crystals within a typical reactor environment.…”

Section: Crystal Morphology and Its Predictionmentioning

confidence: 99%

Morphological population balance for modeling crystal growth in face directions

2007

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in Wiley InterScience (www.interscience.wiley.com).A morphological (or polyhedral) population balance (PB) model is presented for modeling the dynamic size evolution of crystals grown from solution in all crystal growth directions. The morphological PB approach uses the crystal shape information for a single crystal obtained from morphology prediction, or experiment as the initial face locations, as well as face growth rates to predict the shape evolution of the crystal population. For each time instant during the crystallization process, the prediction uses its shape at the previous time moment, and the growth rate for the specific crystal habit plane. The methodology is demonstrated through a study of potash alum (KAl (SO 4 ) 2 Á12H 2 O), for which literature data is available for comparison and validation. The discretization method, method of classes, was used to convert the equations to ordinary differential form with the computational domain being discretized into small meshes. The ordinary differential equations ([1.5 million) were then solved simultaneously using the Runge-Kutta-Fehlbergh 4th/5th-order solver with automatic time-step control. The results obtained clearly demonstrate that the morphological PB model developed can predict crystal growth and surface area of individual habit faces in detail, together with crystal shape and size evolution.

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Section: Crystal Morphology and Its Predictionmentioning

confidence: 99%

Morphological population balance for modeling crystal growth in face directions

2007

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“…Zhang et al32 developed a model for the shape evolution of 3‐D faceted single crystals, and applied this to two organic crystal systems: adipic acid and α‐glycine grown from water. A number of comprehensive reviews on the background and applications of crystal morphological modeling can be found in literature 9, 33, 34…”

Section: Introductionmentioning

confidence: 99%

Radiation effects on poly(propylene) (PP)/ethylene–vinyl acetate copolymer (EVA) blends

Dalai

Chen

2002

J of Applied Polymer Sci

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Radiation effects on poly(propylene)/ethylene-vinyl acetate copolymer (PP/EVA) blends are discussed. Increasing the EVA content enhanced the crosslinking effect of radiation in PP/EVA blends. This effect was significant when the EVA content was Ն50% in PP/EVA blends that were exposed to ␥-ray irradiation in air. This phenomenon is discussed in relation to the compatibility, morphology, and thermal properties of PP/EVA blends. The results indicate that the effect is dependent on the compatibility, the increase in the amorphous region content, and the EVA content in PP/EVA blends. The possible mechanism of radiation crosslinking or degradation in irradiated PP/EVA blends was studied quantitatively by a novel method, a "step analysis" process, and thermal gravimetric analysis.

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“…In literature, the so-called multidimension is often interpreted as multiple-variables, i.e., a single-size dimension as volume equivalent spherical diameter plus other variables, such as particle location, porosity and fraction ratio. Crystal morphology has been a very important research area, but the focus has been on shape prediction for single crystals [10,[75][76][77][78][79][80] rather than for all the crystal population within a crystalliser. On the other hand, although population balance (PB) modeling for crystallisation processes is for all crystals in a crystalliser, crystal shape was often ignored with an over-simplified crystal-size definition, i.e., the volume equivalent diameter of spheres (see for example [54,[81][82][83][84][85][86][87][88]).…”

Section: Multi-dimensional and Morphological Population Balance Modelsmentioning

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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Predicting particle morphology on the basis of the root molecular and crystal structure

Cited by 8 publications

References 53 publications

Morphological population balance for modeling crystal growth in face directions

Morphological population balance for modeling crystal growth in face directions

Radiation effects on poly(propylene) (PP)/ethylene–vinyl acetate copolymer (EVA) blends

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

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