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Modeling of particle formation in supercritical fluids (SCF)

Supercritical Fluid Science and Technology, ISSN: 2212-0505, Vol: 8, Page: 239-259
2021
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Book Chapter Description

This chapter provides a critical review of modeling of particle formation in supercritical fluids, highlighting the challenges and further needs concerning the modeling of the complete SFRD and CHTS process. Section 9.1 gives a short introduction of modeling particle synthesis and growth during the particle formation process of interest (i.e., supercritical fluid reactive deposition, SFRD, or continuous hydrothermal synthesis, CHTS). Section 9.2 describes the current state of knowledge with regard to the theoretical description of the particle characteristics obtained from SFRD. This challenging task requires considering the complex phase and sorption/adsorption behavior, conversion of the adsorbed precursor to its metal form, and kinetics and energetics of nucleus formation, particle formation and growth. Furthermore, the different approaches and the obtained results are presented and critically discussed. Section 9.3 describes the current state of knowledge with regard to the theoretical description of the particle characteristics obtained from CHTS. Thereby different fields have to be considered: dissolution of the metal salt in cold H 2 O, followed by mixing with scH 2 O, synthesis of the metal oxides, and kinetics and energetics of nucleus formation, particle formation and growth. In addition, a complete model should take into consideration the complex geometry and fluid dynamics inside the mixing and reactor unit. Furthermore, the different approaches and the obtained results are presented and critically discussed. In Section 9.4 supplementary explanations on the application of the general dynamic equation (GDE) are given. This approach enables the description of particle formation and growth due to simultaneous nucleation, condensation, and coagulation. Thereby the particle collective is characterized by the concentration of the particles, the mean particle diameter and the standard deviation. These parameters can be obtained from the three moments assuming a lognormal particle size distribution. At the end, typical results are presented and the advantages and limitations of the presented approach are critically discussed.

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