Computational study of crystal breakage with the Cell Average
Technique.

Palatos - Plexidas, Alexandros; Παλάτος - Πλεξίδας, Αλέξανδρος

dc.contributor.author	Palatos - Plexidas, Alexandros	en
dc.contributor.author	Παλάτος - Πλεξίδας, Αλέξανδρος	el
dc.date.accessioned	2022-07-15T10:58:50Z
dc.date.available	2022-07-15T10:58:50Z
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/55394
dc.identifier.uri	http://dx.doi.org/10.26240/heal.ntua.23092
dc.description	Εθνικό Μετσόβιο Πολυτεχνείο--Μεταπτυχιακή Εργασία. Διεπιστημονικό-Διατμηματικό Πρόγραμμα Μεταπτυχιακών Σπουδών (Δ.Π.Μ.Σ.) “Υπολογιστική Μηχανική”	el
dc.rights	Default License
dc.subject	Διάσπαση κρυστάλλων	el
dc.subject	Υπολογιστική μηχανική	el
dc.subject	Ισοζύγια πληθυσμών	el
dc.subject	Βελτιστοποίηση	el
dc.subject	Προσομοίωση	el
dc.subject	Crystal breakage simulation	en
dc.subject	Population balance equations	en
dc.subject	Cell average technique	en
dc.subject	Crystallization	en
dc.subject	Optimization	en
dc.title	Computational study of crystal breakage with the Cell Average Technique.	en
heal.type	masterThesis
heal.secondaryTitle	Υπολογιστική μελέτη του μηχανισμού της διάσπασης κρυστάλλων με τη μέθοδο Cell Average Technique.	el
heal.classification	Chemical Engineering	en
heal.classification	Computational Mechanics	en
heal.language	en
heal.access	free
heal.recordProvider	ntua	el
heal.publicationDate	2022-02-18
heal.abstract	This study concerns the implementation of a computational method simulating ultrasound crystallization breakage. Even though ultrasound has been investigated experimentally, a systematic study of the underlying mechanisms is not yet available. To this end, modeling approaches need to be applied and in particular population balance models that can describe the interplay of various mechanisms. Here, a population balance model (PBM) has been developed to simulate ultrasound crystal breakage process. In this work, the main focus is to investigate crystal breakage with ultrasounds. PBM is a complex class of equations and requires the implementation of numerical techniques. Here, we apply the cell average technique (CAT). We validate CAT by comparing numerical results with simplified PBEs with analytic solutions. Upon validation, we proceed with the comparison of the CAT for pure breakage on crystals with experimental measurements that are provided by the group of professor G. Stefanidis in KU Leuven. We discuss the importance to select an appropriate formulation for the daughter distribution function that describes the breakage mechanism. In order to estimate the necessary breakage kinetic parameters as well as distribution parameters that may be needed, the development of an optimization framework is required. Among the different types of daughter distributions that are modeled, in this work the optimum results are provided using the U-shaped function, which describes the probability distribution of two produced particles after the breakage of the mother crystal. Furthermore, we examine the effect of ultrasound power by fitting for each experiment the corresponding kinetic parameters of the model and derive a power law equation that generalizes our findings. Additionally, we study the effect of ultrasound frequency for three different cases. The majority of the simulations is referred to sodium chlorate, NaClO3, however, we fit the CAT results with the case of L-glutamic acid, LGLu with similar findings.	en
heal.advisorName	Καβουσανάκης, Μιχαήλ	el
heal.committeeMemberName	Καβουσανάκης, Μιχαήλ	el
heal.committeeMemberName	Μπουντουβής, Ανδρέας	el
heal.committeeMemberName	Στεφανίδης, Γεώργιος	el
heal.academicPublisher	Εθνικό Μετσόβιο Πολυτεχνείο. Σχολή Χημικών Μηχανικών	el
heal.academicPublisherID	ntua
heal.numberOfPages	66 σ.	el
heal.fullTextAvailability	false