Reaction-Diffusion Model for Gasification of a Shrinking Single Carbon-Anode Particle.

The present work focuses on the gasification of a single carbon-anode particle with CO2, using a detailed reaction-transport model based on the reaction intrinsic kinetics and transport of gaseous species. The model includes the mass conservation equations for the gas components and solid carbon particles, resulting in a set of nonlinear partial differential equations, being solved using numerical techniques. The model may predict the gas generation rate, the gas compositions, and the carbon consumption rate during the gasification of a carbon particle. Five kinetic models were compared to describe the gasification behavior of carbon particles. It was found that the random pore model (RPM) provided the best description of the reactivity of anode particles. The model also predicted the particle shrinkage during the gasification process. The model was validated using experimental results obtained with different particle size ranges, being gasified with CO2 at 1233 K. The experiments were performed in a thermogravimetric analyzer (TGA). Good agreement between the model results and the experimental data showed that this approach could quantify with success the gasification kinetics and the gas distribution within the anode particle. In addition, the Langmuir-Hinshelwood (L-H) model is used in order to capture the inhibition effect of carbon monoxide on the gasification reaction. The effectiveness factor and Thiele modulus simulated for various particle sizes helped assess the evolution of the relative dominance of diffusion and chemical reactions during the gasification process.

Characterization of the Hot Anode Paste Compaction Process: A Computational and Experimental Study.

The aim of this work is to model and characterize green anode paste compaction behavior. For this purpose, a nonlinear viscoplastic constitutive law for compressible materials, based on the finite strain theory and the thermodynamic framework, was used. An experimental study was carried out to characterize axial and radial behaviors of the anode paste. To this end, simple compaction tests using a thin steel instrumented mold were performed at a temperature of 150 °C. Results of these experiments brought out the nonlinear mechanical behavior of the anode paste. Furthermore, they showed the importance of its radial behavior. The constitutive law was implemented in Abaqus software through the user's material subroutine VUMAT for explicit dynamic analysis. An inverse analysis procedure for material parameters identification showed that the model predicts compaction tests results with a good agreement. In order to assess the constitutive law predictive potential in situations involving density gradients, compaction tests using complex geometries such as slots and stub holes were carried out. Finite element simulation results showed the ability of the model to successfully predict density profiles measured by the X-ray tomography.

Discrete Element Method Modeling of the Rheological Properties of Coke/Pitch Mixtures.

Rheological properties of pitch and pitch/coke mixtures at temperatures around 150 °C are of great interest for the carbon anode manufacturing process in the aluminum industry. In the present work, a cohesive viscoelastic contact model based on Burger's model is developed using the discrete element method (DEM) on the YADE, the open-source DEM software. A dynamic shear rheometer (DSR) is used to measure the viscoelastic properties of pitch at 150 °C. The experimental data obtained is then used to estimate the Burger's model parameters and calibrate the DEM model. The DSR tests were then simulated by a three-dimensional model. Very good agreement was observed between the experimental data and simulation results. Coke aggregates were modeled by overlapping spheres in the DEM model. Coke/pitch mixtures were numerically created by adding 5, 10, 20, and 30 percent of coke aggregates of the size range of 0.297-0.595 mm (-30 + 50 mesh) to pitch. Adding up to 30% of coke aggregates to pitch can increase its complex shear modulus at 60 Hz from 273 Pa to 1557 Pa. Results also showed that adding coke particles increases both storage and loss moduli, while it does not have a meaningful effect on the phase angle of pitch.