Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case

The present work introduces a novel method to estimate the morphology of semicrystalline polymers, namely the average spherulite size, size distribution, and nucleus density based on experimental crystallization conversion curves recorded by differential scanning calorimetry (DSC). A fast and accura...

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Autores principales:	János Molnár, Örs Sepsi, Bálint Gaál, Zita Zuba, Monika Dobrzyńska-Mizera, Alfréd Menyárd
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Morphology Crystallization Spherulitic structure Simulation Optical properties Haze Materials of engineering and construction. Mechanics of materials TA401-492
Acceso en línea:	https://doaj.org/article/63aef821282644908a9ef492d9205829
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spelling	oai:doaj.org-article:63aef821282644908a9ef492d92058292021-11-18T04:43:28ZProbabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case0264-127510.1016/j.matdes.2021.110245https://doaj.org/article/63aef821282644908a9ef492d92058292021-12-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S0264127521008005https://doaj.org/toc/0264-1275The present work introduces a novel method to estimate the morphology of semicrystalline polymers, namely the average spherulite size, size distribution, and nucleus density based on experimental crystallization conversion curves recorded by differential scanning calorimetry (DSC). A fast and accurate probabilistic numerical simulation method describing random nuclei formation and subsequent growth is introduced to handle the crystallization process of polymers. The developed method was used in a curve-fitting procedure with experimental crystallization curves to obtain structural parameters of neat and nucleated isotactic polypropylene. The simulated morphology was used with success to predict haze of injection-molded samples, proving the reliability and applicability of our new approach. The method presented here can be a useful technique to construct the spherulitic morphology based on crystallization conversion curves and predict properties dependent on the spherulite size, size distribution, and nucleus density, even when microscopic measurement cannot be carried out.János MolnárÖrs SepsiBálint GaálZita ZubaMonika Dobrzyńska-MizeraAlfréd MenyárdElsevierarticleMorphologyCrystallizationSpherulitic structureSimulationOptical propertiesHazeMaterials of engineering and construction. Mechanics of materialsTA401-492ENMaterials & Design, Vol 212, Iss , Pp 110245- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Morphology Crystallization Spherulitic structure Simulation Optical properties Haze Materials of engineering and construction. Mechanics of materials TA401-492
spellingShingle	Morphology Crystallization Spherulitic structure Simulation Optical properties Haze Materials of engineering and construction. Mechanics of materials TA401-492 János Molnár Örs Sepsi Bálint Gaál Zita Zuba Monika Dobrzyńska-Mizera Alfréd Menyárd Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
description	The present work introduces a novel method to estimate the morphology of semicrystalline polymers, namely the average spherulite size, size distribution, and nucleus density based on experimental crystallization conversion curves recorded by differential scanning calorimetry (DSC). A fast and accurate probabilistic numerical simulation method describing random nuclei formation and subsequent growth is introduced to handle the crystallization process of polymers. The developed method was used in a curve-fitting procedure with experimental crystallization curves to obtain structural parameters of neat and nucleated isotactic polypropylene. The simulated morphology was used with success to predict haze of injection-molded samples, proving the reliability and applicability of our new approach. The method presented here can be a useful technique to construct the spherulitic morphology based on crystallization conversion curves and predict properties dependent on the spherulite size, size distribution, and nucleus density, even when microscopic measurement cannot be carried out.
format	article
author	János Molnár Örs Sepsi Bálint Gaál Zita Zuba Monika Dobrzyńska-Mizera Alfréd Menyárd
author_facet	János Molnár Örs Sepsi Bálint Gaál Zita Zuba Monika Dobrzyńska-Mizera Alfréd Menyárd
author_sort	János Molnár
title	Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
title_short	Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
title_full	Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
title_fullStr	Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
title_full_unstemmed	Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case
title_sort	probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: an isothermal case
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/63aef821282644908a9ef492d9205829
work_keys_str_mv	AT janosmolnar probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase AT orssepsi probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase AT balintgaal probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase AT zitazuba probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase AT monikadobrzynskamizera probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase AT alfredmenyard probabilisticnumericalsimulationforpredictingspheruliticmorphologyfromcalorimetriccrystallizationconversioncurvesanisothermalcase
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Probabilistic numerical simulation for predicting spherulitic morphology from calorimetric crystallization conversion curves: An isothermal case

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