CFD Particle Model and Optimization of the Reaction of Sulfidic Pellets With Hydrogen

A dynamic 2D CFD multilayer particle model was developed and simulated using COMSOL Multiphysics 6.3 to study desulfurization of copper sulfide (Cu2S) with hydrogen (H2). The model solved interstitial velocity and pressure fields in the gas phase coupled to transiently resolved species transport in both gas and solid phases, incorporating reduction kinetics and dynamic pellet porosity change. After model validation with experimental data from literature, a constricted optimization study was carried out to identify optimal conditions necessary to maximize Cu2S conversion and H2 utilization. The optimization solutions (i.e., 100% H2 and 973 K) indicated that both high inlet mole fraction of H2 and temperature improved the objective function steadily, highlighting the trade-off between maximizing conversion and minimizing H2 slip. The current work can serve as a framework for reactor-scale simulations aimed at intensification and decarbonization of primary copper production.