Influence of solvent properties and intermolecular interaction between solute and solvent on nucleation kinetics of HMBTAD

Primary Nucleation of Benzoic Acid in Aqueous Ethanol Solution

“…It has been demonstrated that the radius of critical cluster varied from 6.1 to 30 Å, which are in the same order of magnitude as other compounds, such as paracetamol (0.89−2.2 Å), butyl paraben (4−20 Å), 42 pyridoxal 5-phosphate monohydrate (4−11 Å), 14 sodium sulfate (1−6 Å), 15 and HMBTAD (up to 20 Å). 41 Correspondingly, the activation energy for nucleation ranges from 2.9 × 10 −21 to 2.5 × 10 −19 J for the supersaturation used in this work, which are comparable with the values for other systems. 14 Furthermore, it can be found that with the increase of water mass fraction and decrease of temperature, the interfacial energy increased, which could lead to an increase in critical radius and activation energy.…”

“…It is possible because that eq mainly focused on inorganic compounds, for which the interfacial energy normally falls in the range of 10 and 150 mJ/m 2 . Generally, organic compounds show much lower values, such as 4.28–5.56 mJ/m 2 for curcumin with the presence of impurity, 0.825–1.368 mJ/m 2 for cyclotetramethylene tetranitramine, 1.7–4.9 mJ/m 2 for HMBTAD in ester solvents and other binary solvents, and 3.14–5.31 mJ/m 2 for pyridoxal 5-phosphate monohydrate in water . It can be found that the interfacial energy obtained from our work (1.83–6.46 mJ/m 2 ) falls well within the range of interfacial energy reported previously.…”

“…Based on the interfacial energy results, the radius of critical nucleus ( r crit ) and the activation energy for nucleation (Δ G crit , J) at different experimental conditions were calculated by eq and , and the plots are shown in Figures S1 and S2 (Supporting Information). It has been demonstrated that the radius of critical cluster varied from 6.1 to 30 Å, which are in the same order of magnitude as other compounds, such as paracetamol (0.89–2.2 Å), butyl paraben (4–20 Å), pyridoxal 5-phosphate monohydrate (4–11 Å), sodium sulfate (1–6 Å), and HMBTAD (up to 20 Å) . Correspondingly, the activation energy for nucleation ranges from 2.9 × 10 –21 to 2.5 × 10 –19 J for the supersaturation used in this work, which are comparable with the values for other systems .…”

Investigations into the Influence of Solvents on the Nucleation Kinetics for Isonicotinamide, Lovastatin, and Phenacetin

“…As the correlation coefficient for these systems exceeds the corresponding critical value based on the 95% confidence interval, it is concluded that A 0 increases linearly with increasing γ 1/2 in various solvents for each system. As an increasing trend of the interfacial energy with the increasing corresponding solute–solvent interaction for the same solute in various solvents has been reported in the literature, − it is speculated that the effect of this interaction on γ is also strongly correlated with that on A 0 for the same system. Consequently, if the choice of solvent results in a greater γ because of a stronger solute–solvent interaction, it simultaneously results in a greater A 0 .…”

“…As the nucleation behavior of the same solute is greatly influenced by the choice of solvent, the study of nucleation in various solvents has long been an important research subject. − Recent studies have indicated an increasing trend of the interfacial energy with the increasing corresponding solute–solvent interaction for the same solute in various solvents. − Apart from the interfacial energy, nucleation should also be influenced by the pre-exponential factor based on CNT. However, few studies have been published regarding to the influence of the solvent type on the pre-exponential factor for nucleation.…”