Measuring induction times and crystal nucleation rates

Brandel, Clément; Horst, Joop H. ter

doi:10.1039/c4fd00230j

Cited by 119 publications

(167 citation statements)

References 16 publications

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“…In contrast, the polymorphic outcome from a similarly supersaturated solution in DMF was shown to be seed‐dependent (Table ; XRPD results are shown in the Supporting Information), whereas unseeded solutions in DMF exhibited long induction times (up to 3 h) and spontaneously produced the RI form. In terms of kinetics of spontaneous nucleation, it has recently been reported that the nucleation rate of ssRII from unseeded IPA solution at β =3 ( J =668.0 m −3 s −1 ) is approximately 18 times higher than that of RI in unseeded DMF ( J =35.7 m −3 s −1 , at the same supersaturation) …”

Section: Resultsmentioning

confidence: 99%

Prenucleation Self‐Assembly and Chiral Discrimination Mechanisms during Solution Crystallisation of Racemic Diprophylline

Brandel

Cartigny

Coquerel

et al. 2016

Chemistry A European J

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This version is available at https://strathprints.strath.ac.uk/58510/ Strathprints is designed to allow users to access the research output of the University of Strathclyde. Unless otherwise explicitly stated on the manuscript, Copyright © and Moral Rights for the papers on this site are retained by the individual authors and/or other copyright owners. Please check the manuscript for details of any other licences that may have been applied. You may not engage in further distribution of the material for any profitmaking activities or any commercial gain. You may freely distribute both the url (https://strathprints.strath.ac.uk/) and the content of this paper for research or private study, educational, or not-for-profit purposes without prior permission or charge.Any correspondence concerning this service should be sent to the Strathprints administrator: strathprints@strath.ac.ukThe Strathprints institutional repository (https://strathprints.strath.ac.uk) is a digital archive of University of Strathclyde research outputs. It has been developed to disseminate open access research outputs, expose data about those outputs, and enable the management and persistent access to Strathclyde's intellectual output. FULL PAPER Pre-Nucleation Self-Assembly and Chiral Discrimination Mechanisms during Solution Crystallization of Racemic DiprophyllineClément Brandel,* [a] Yohann Cartigny, [a] Gérard Coquerel, [a] Joop H. ter Horst, [b] and Samuel Petit [a] Abstract: The crystallization behavior of (RS)-Diprophylline (DPL) in two different solvents is investigated in order to assess the incidence of solvated pre-associations on nucleation, crystal growth and chiral discrimination. In the solvated state, Raman spectroscopy shows that dimeric associations similar to those depicted in the crystalline solid solution (ssRII) predominate in isopropyl alcohol (IPA), which may account for the systematic spontaneous nucleation of this crystal form from this solvent. By contrast, spontaneous nucleation in dimethylformamide yields the stable racemic compound RI, consistently with the distinct features of the Raman spectrum collected in this solvent. A crystal growth study of ssRII in IPA reveals that the crystal habitus is impacted by the solution enantiomeric excess which is explained by an increased competition between homo and heterochiral pre-associations. This is supported by a molecular modelling study on the enantiomeric selectivity of the DPL crystal lattices. The combination of assessment methods on solution chemistry, nucleation and chiral discrimination provides methodological tools from which the occurrence of solid solutions can be rationalized.

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Section: Resultsmentioning

confidence: 99%

Prenucleation Self‐Assembly and Chiral Discrimination Mechanisms during Solution Crystallisation of Racemic Diprophylline

Brandel

Cartigny

Coquerel

et al. 2016

Chemistry A European J

Self Cite

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“…As the induction time can be experimentally determined by the isothermal method at a constant supersaturation level, the induction time data are frequently used as a measure of the nucleation event to calculate the interfacial energy of the crystallized substance in the literature [5][6][7][8][9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Comparison of the interfacial energy and pre-exponential factor calculated from the induction time and metastable zone width data based on classical nucleation theory

Shiau

2016

Journal of Crystal Growth

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“…III E. Because NaCl solution droplets require time t ind (induction time) to adjust to the humidity inside the trap and thus reach the efflorescence concentration, the time t in Equations (1)-(2b) has to be replaced with t t ind . 55,56 The induction time becomes a fitting parameter and can be derived from fitting the experimental data. The fitting parameters and curves for all temperature settings examined in this study are given in the supplementary material together with the overview of experimental conditions.…”

Section: Efflorescence Nucleation Rate Of Nacl Solution Dropletsmentioning

confidence: 99%

Temperature-dependent formation of NaCl dihydrate in levitated NaCl and sea salt aerosol particles

Peckhaus¹,

Kiselev²,

Wagner³

et al. 2016

The Journal of Chemical Physics

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Recent laboratory studies indicate that the hydrated form of crystalline NaCl is potentially important for atmospheric processes involving depositional ice nucleation on NaCl dihydrate particles under cirrus cloud conditions. However, recent experimental studies reported a strong discrepancy between the temperature intervals where the efflorescence of NaCl dihydrate has been observed. Here we report the measurements of the volume specific nucleation rate of crystalline NaCl in the aqueous solution droplets of pure NaCl suspended in an electrodynamic balance at constant temperature and humidity in the range from 250 K to 241 K. Based on these measurements, we derive the interfacial energy of crystalline NaCl dihydrate in a supersaturated NaCl solution and determined its temperature dependence. Taking into account both temperature and concentration dependence of nucleation rate coefficients, we explain the difference in the observed fractions of NaCl dihydrate reported in the previous studies. Applying the heterogeneous classical nucleation theory model, we have been able to reproduce the 5 K shift of the NaCl dihydrate efflorescence curve observed for the sea salt aerosol particles, assuming the presence of super-micron solid inclusions (hypothetically gypsum or hemihydrate of CaSO 4 ). These results support the notion that the phase transitions in microscopic droplets of supersaturated solution should be interpreted by accounting for the stochastic nature of homogeneous and heterogeneous nucleation and cannot be understood on the ground of bulk phase diagrams alone.

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Measuring induction times and crystal nucleation rates

Cited by 119 publications

References 16 publications

Prenucleation Self‐Assembly and Chiral Discrimination Mechanisms during Solution Crystallisation of Racemic Diprophylline

Prenucleation Self‐Assembly and Chiral Discrimination Mechanisms during Solution Crystallisation of Racemic Diprophylline

Comparison of the interfacial energy and pre-exponential factor calculated from the induction time and metastable zone width data based on classical nucleation theory

Temperature-dependent formation of NaCl dihydrate in levitated NaCl and sea salt aerosol particles

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