A novel interfacial thermodynamic model for predicting solubility of nanoparticles coated by stabilizers

• 来源期刊: 中国化学工程学报（英文版）
• 年，卷（期）: 2021,（3）
• 所属期刊栏目: Special Issue on Frontiers of Chemical Engineering Thermodynamics
• 页码范围: 103-112
• 页数: 10页
• 语种: 英文

摘要

To improve the stability of nanoparticles in aqueous solution, polymer or surfactant, etc. are often added in solutions during the preparation process of nanoparticles, which can induce new interfaces that influ-ence the solubility of nanoparticles. In this work, a novel interfacial thermodynamic model for describing the Gibbs energy of the nanoparticles coated by stabilizers was proposed to predict the solubility of nanoparticles. Within the developed model, the activity coefficient of nano metal system was determined by Davies model and that of nano drug system by Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). The Gibbs energy of the interface was established as a function of molecular parameters via the application for nano metal system. Furthermore, the model was further used to predict the solubility of nano drugs itraconazole, fenofibrate, and griseofulvin. It was found that the Gibbs energy of the inter-face plays an important role especially when the radius of nano metal is less than 40 nm, and the devel-oped model can predict the solubility of nano drug with high accuracy in comparison with the experimental data as well as predict the changing trend of solubility of nano drugs that increases as the particle size decreases. Meanwhile, the stabilization mechanism of stabilizers on nano drugs was studied which provided theoretical guidance for the selection of polymer or surfactant stabilizer. These findings showed that the developed model can provide a reliable prediction of the solubility of nanopar-ticles and help to comprehend the stabilization mechanism of the stabilizers on nano drugs with different particle sizes, which is expected to provide important information for the design of nano drugs formulations.