Three‐dimensional modeling of porosity development during the gasification of a char particle

• Published in: AIChE journal Vol. 63; no. 5; pp. 1638 - 1647
• Main Authors: Wittig, Kay, Nikrityuk, Petr A., Schulze, Sebastian, Richter, Andreas
• Format: Journal Article
• Language: English
• Published: New York American Institute of Chemical Engineers 01.05.2017
• Subjects: Carbon; char particle; Chemical engineering; Combustion; Computer simulation; Gasification; kinetically controlled; Mathematical models; particle fragmentation; Particle physics; pore growth; Porosity; Specific surface; specific surface area
• ISSN: 0001-1541; 1547-5905
• DOI: 10.1002/aic.15526

This work is devoted to the three‐dimensional, direct modeling of porosity and specific surface development during the gasification of a char particle. The model was developed for heterogeneous reactions occurring inside a char particle in a kinetically controlled regime. The main goal of this work is to analyze the impact of different pore size distributions on the particle carbon conversion rate. In particular, it is shown that under certain conditions the outer particle surface can influence the specific surface area. In this context the possible adaptation of the parameter ψ from the random pore model (RPM) developed by Bhatia and Perlmutter is explained. The results of simulations are compared against the RPM and discussed. Additionally, based on the results of simulations, the physics behind several input parameters used by the RPM are explored. Finally, the possible fragmentation of a chemically reacting char particle during its gasification in dependence of instantaneous porosity was investigated numerically. It was shown that the earliest fragmentation occurs at a carbon conversion of about 0.5–0.6 due to the disaggregation of the pore walls. The results are discussed and compared implicitly with data published in the literature. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1638–1647, 2017