Determination of the solid liquid interfacial energy and thereby the critical nucleus size of paracetamol in different solvents

Omar, Waid; Mohnicke, Mandy; Ulrich, Joachim

doi:10.1002/crat.200510584

Cited by 44 publications

(45 citation statements)

References 7 publications

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“…Similarly, the number density of secondary nuclei grown crystals (N/M) secondary is obtained by integrating eqn (8) as (N/M) secondary is also given by subtracting (N/M) primary from (N/M) total .…”

Section: Change In the Number Density Of Crystals With Time And Determentioning

confidence: 99%

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Secondary nucleation-mediated effects of stirrer speed and growth rate on induction time for unseeded solution

Kobari¹,

Kubota²,

Hirasawa³

2012

CrystEngComm

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Simulation of induction time for nucleation was performed under isothermal conditions for unseeded aqueous solutions of different concentrations. The effects of stirrer speed and growth rate on induction time were both explained with the proposed secondary nucleation-mediated mechanism. The effect of stirrer speed N r was incorporated into the simulation with an empirical relation of k b2 3 N r j , where k b2 is the coefficient in the secondary nucleation rate equation B 2 = k b2 (DT) b2 m 3 , DT is supercooling, j and b2 are empirical constants and m 3 is the third moment of crystal size distribution. The simulated induction time decreased with an increase in stirrer speed at lower supercoolings, while it remained unchanged at higher supercoolings. Such action of stirrer speed was similar to that observed in the literature data. The growth rate effect was considered to be caused by a faster increase in the secondary nucleation rate via a faster increase in m 3 . The simulated induction time decreased with an increase in crystal growth rate. This type of growth rate effect is completely different from the existing mechanism considering the time needed for invisible nuclei to grow to a detectable size.

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Section: Change In the Number Density Of Crystals With Time And Determentioning

confidence: 99%

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] It is usually defined as the time elapsed from supersaturation creation to ''new phase detection'' under isothermal conditions. The term ''new phase detection'' has been interpreted in different ways 3 depending on the researcher.…”

Section: Introductionmentioning

confidence: 99%

Secondary nucleation-mediated effects of stirrer speed and growth rate on induction time for unseeded solution

Kobari¹,

Kubota²,

Hirasawa³

2012

CrystEngComm

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“…The selection of a solvent system might depend on its value due to its significant influence on both growth and nucleation parameters. The induction time of nucleation is an important process parameter which is related to the solid liquid interfacial energy value [12]. Practically the optimum solvent composition for a crystallization system must fulfill the condition of longer induction times to achieve the growth of the seed crystals.…”

Section: Nucleation Parametersmentioning

confidence: 99%

Determination of nucleation parameters and the solid liquid interfacial energy of the KCl‐ethanol‐water system

Omar

Ulrich

2007

Cryst. Res. Technol.

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The kinetic parameters of homogeneous nucleation of KCl in different ethanol-water solvent mixtures were determined at 25°C from the experimental measurements of the width of the metastable zone at different cooling rates. The ethanol mass ratio in the ethanol water solvent mixture was varied from 0-0.9 and the metastable zone width for each solvent mixture was measured under the cooling rates of 10, 20 and 30 K/h. The influence of ethanol ratio on the activity coefficient was calculated. It was found that increasing the ethanol ratio in the solvent mixture leads to an increase in the mean molal activity coefficient. The experimental results obtained showed that the increase in the ethanol ratio in the solvent widens the metastable zone for the crystallization of KCl. Also it has inferred from the calculations based on the classical nucleation theory that increasing of the ethanol ratio in the solvent mixture resulted in an increase of the nucleation rate order, increase of the critical size of nuclei and increase of the solid liquid interfacial energy. It has been found that the solid liquid interfacial energy can be good correlated with inversely proportionality to the solubility.

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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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Determination of the solid liquid interfacial energy and thereby the critical nucleus size of paracetamol in different solvents

Cited by 44 publications

References 7 publications

Secondary nucleation-mediated effects of stirrer speed and growth rate on induction time for unseeded solution

Secondary nucleation-mediated effects of stirrer speed and growth rate on induction time for unseeded solution

Determination of nucleation parameters and the solid liquid interfacial energy of the KCl‐ethanol‐water system

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

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