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Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology

[Image: see text] Cross-nucleation is defined as the nucleation of one polymorph on the surface of another polymorph of the same substance. Although the description of this particular form of heterogeneous nucleation is mainly phenomenological, recently dedicated quantitative studies are performed o...

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Autores principales: Looijmans, Stan F. S. P., Cavallo, Dario, Yu, Lian, Peters, Gerrit W. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6034164/
https://www.ncbi.nlm.nih.gov/pubmed/29991931
http://dx.doi.org/10.1021/acs.cgd.8b00254
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author Looijmans, Stan F. S. P.
Cavallo, Dario
Yu, Lian
Peters, Gerrit W. M.
author_facet Looijmans, Stan F. S. P.
Cavallo, Dario
Yu, Lian
Peters, Gerrit W. M.
author_sort Looijmans, Stan F. S. P.
collection PubMed
description [Image: see text] Cross-nucleation is defined as the nucleation of one polymorph on the surface of another polymorph of the same substance. Although the description of this particular form of heterogeneous nucleation is mainly phenomenological, recently dedicated quantitative studies are performed on several systems. In this work we propose a model framework that captures the phenomenon of cross-nucleation for a spherulitic seed-surface geometry, as well as the kinetic competition between the seed growth and the cross-nucleus formation, by the introduction of a tangential growth rate of the daughter polymorph. Regardless of the growth rate of the parent spherulite, this model describes the experimental data up to and including the final amount of cross-nuclei on its periphery, solely based on one parameter, the cross-nucleation rate. Furthermore, a strong temperature dependency of the kinetic competition between concomitantly growing α- and β-phase isotactic polypropylene is observed and related to the previously reported anomalous behavior of this cross-nucleating system.
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spelling pubmed-60341642018-07-08 Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology Looijmans, Stan F. S. P. Cavallo, Dario Yu, Lian Peters, Gerrit W. M. Cryst Growth Des [Image: see text] Cross-nucleation is defined as the nucleation of one polymorph on the surface of another polymorph of the same substance. Although the description of this particular form of heterogeneous nucleation is mainly phenomenological, recently dedicated quantitative studies are performed on several systems. In this work we propose a model framework that captures the phenomenon of cross-nucleation for a spherulitic seed-surface geometry, as well as the kinetic competition between the seed growth and the cross-nucleus formation, by the introduction of a tangential growth rate of the daughter polymorph. Regardless of the growth rate of the parent spherulite, this model describes the experimental data up to and including the final amount of cross-nuclei on its periphery, solely based on one parameter, the cross-nucleation rate. Furthermore, a strong temperature dependency of the kinetic competition between concomitantly growing α- and β-phase isotactic polypropylene is observed and related to the previously reported anomalous behavior of this cross-nucleating system. American Chemical Society 2018-06-04 2018-07-05 /pmc/articles/PMC6034164/ /pubmed/29991931 http://dx.doi.org/10.1021/acs.cgd.8b00254 Text en Copyright © 2018 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Looijmans, Stan F. S. P.
Cavallo, Dario
Yu, Lian
Peters, Gerrit W. M.
Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title_full Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title_fullStr Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title_full_unstemmed Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title_short Cross-Nucleation between Polymorphs: Quantitative Modeling of Kinetics and Morphology
title_sort cross-nucleation between polymorphs: quantitative modeling of kinetics and morphology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6034164/
https://www.ncbi.nlm.nih.gov/pubmed/29991931
http://dx.doi.org/10.1021/acs.cgd.8b00254
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