Kinetics and Thermodynamics of the Phase Transformation in the Nanocrystalline Substance—Gas Phase System

• Published in: Crystals (Basel) 2024-01, Vol.14 (2), p.129
• Main Authors: Arabczyk, Walerian, Pelka, Rafał, Wilk, Bartłomiej, Lendzion-Bieluń, Zofia
• Format: Article
• Language: English
• Subjects: Adsorbates; Adsorption; Ammonia; Chemical properties; chemical reaction model; Chemical reaction, Rate of; Chemical reactions; diffusion; Diffusion rate; Equilibrium; Hydrogen; Kinetics; Materials research; Nanocrystals; Nitrogen; phase transformation; Phase transformations (Statistical physics); Phase transitions; Thermodynamics; Vapor phases
• ISSN: 2073-4352; 2073-4352
• DOI: 10.3390/cryst14020129

This study presents a model of the reaction of a nanocrystalline substance within the gas phase, where diffusion of gas reactants in the volume of the nanocrystallites is a rate-limiting step. According to the model calculations carried out, the rate of diffusion across the phase boundary located on the nanocrystallite surface limits the rate of the process. It was stated that in chemical processes with a phase transformation, the critical concentration of absorbate depends on two factors: the specific active surface area of the adsorbent and the difference in chemical potentials between the gas phase and the equilibrium potential at which the phase transformation occurs. When the actual adsorbate potential in the gas phase is much greater than the equilibrium potential of the nanocrystallite with the largest specific active surface, nanocrystallites undergo phase changes in the order according to their specific active surfaces from the largest to the smallest. In a process where the actual adsorbate potential is close to an equilibrium one, nanocrystallites undergo phase transformation in the order of their specific active surface from the smallest to the largest.