The effect of solvents on crystal regeneration
File(s)
Published version
Author(s)
Bade, Isha
Etit, Deniz
Heng, Jerry YY
Type
Journal Article
Abstract
Solvents play a pivotal role in crystallisation, affecting crystal growth and properties. This study investigates the regeneration behaviour of paracetamol crystals in ethanol, tetrahydrofuran, and acetone using both evaporative and isothermal crystallisation setups, coupled with a custom MATLAB-based edge detection algorithm for facet-specific growth rate measurements. Regeneration was observed in all solvents, with the fastest rate observed in ethanol (0.07 mm h−1), followed by THF (0.03 mm h−1), and acetone (0.02 mm h−1) at a supersaturation ratio of 1.10. In all cases, regeneration was driven by rapid growth of the (0 1 0) facet, restoring crystals to their original shapes. Crystal shape influenced the regeneration time, with a rapid initial phase comprising 8–15% of total regeneration time. Molecular dynamics simulations were utilised to quantify solvent–crystal interactions, showing that not only do the inherent solvent properties play a role but also the solubility of paracetamol significantly affects crystal regeneration.
Date Issued
2026-01-12
Date Acceptance
2025-09-20
Citation
CrystEngComm, 2026, 28 (2), pp.357-370
ISSN
1466-8033
Publisher
Royal Society of Chemistry
Start Page
357
End Page
370
Journal / Book Title
CrystEngComm
Volume
28
Issue
2
Copyright Statement
© The Royal Society of Chemistry 2026 Open Access Article This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
License URL
Subjects
ATTACHMENT ENERGY
Chemistry
Chemistry, Multidisciplinary
Crystallography
EVOLUTION
FORCE-FIELD
GROWTH-RATE
MODEL
MONOCLINIC PARACETAMOL
MORPHOLOGY
ORGANIC MATERIALS
Physical Sciences
Science & Technology
SHAPE
WETTABILITY
Publication Status
Published
Date Publish Online
2025-10-07