Secondary Nucleation by Interparticle Energies. I. Thermodynamics
OPEN ACCESS
Loading...
Author / Producer
Date
2022-01-05
Publication Type
Journal Article
ETH Bibliography
yes
Citations
Altmetric
OPEN ACCESS
Data
Abstract
Secondary nucleation, in the absence of attrition, is known to be dependent on external fields, such as contact forces, shear, or interparticle forces. In this contribution, the thermodynamic effect of the presence of the seed crystal surface on secondary nucleation is derived in the context of the classical nucleation theory. The Gibbs free energy for the formation of a cluster close to a seed crystal is calculated with the addition of interparticle energies, namely, van der Waals attractive forces and Born repulsive forces. This results in the stabilization of a subcritical cluster close to the seed surface that can become a secondary nucleus more easily than under homogeneous nucleation conditions. Far from the seed surface, the developed model is reduced to the homogeneous nucleation described by the classical nucleation theory. The crystallization of paracetamol from an ethanol solution is taken as a case study, and the stabilization effect, given by the presence of interparticle energies, can be observed at different values of supersaturation. Three key indicators have been defined and calculated to describe the intensity of the stabilization effect, two of which, namely, the distance from the seed surface where the stabilization is active and the enhancement factor for supersaturation, are used in Part II of this series to describe the kinetics of secondary nucleation by interparticle energies.
Permanent link
Publication status
published
External links
Editor
Book title
Journal / series
Volume
22 (1)
Pages / Article No.
87 - 97
Publisher
American Chemical Society
Event
Edition / version
Methods
Software
Geographic location
Date collected
Date created
Subject
Organisational unit
03484 - Mazzotti, Marco (emeritus) / Mazzotti, Marco (emeritus)
Notes
Funding
788607 - Studying Secondary Nucleation for the Intensification of Continuous Crystallization (EC)
Related publications and datasets
Is part of: https://doi.org/10.3929/ethz-b-000519706
Is part of: https://doi.org/10.3929/ethz-b-000546500