Dresden 2026 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 2: Sustainability: Challenges and Solutions (joint session UP/CPP/SOE)
CPP 2.3: Talk
Monday, March 9, 2026, 10:00–10:15, MER/0002
Electrochemical Modeling of SOFCs with Emphasis on Microkinetic and Anode Overpotential — •Iram Gul1, Gabriela Soffiati2, and Thiago Lopes3 — 1Research Center for Greenhouse Gas Innovation, University of São Paulo (USP), 05508-030, São Paulo * SP, Brazil — 2Institute of Physics (IFUSP), University of São Paulo, Universidade, R. do Matão, 1371 - Butantã, São Paulo - SP, 05508-090 — 3Research Center for Greenhouse Gas Innovation, University of São Paulo (USP), 05508-030, São Paulo * SP, Brazil
This study investigates Solid Oxide Fuel Cells (SOFCs) using a CO/H fuel mixture, focusing on thermodynamics, mass transport, and electrochemical kinetics. Thermodynamic properties such as heat capacity, enthalpy, entropy, and Gibbs free energy were analyzed across 600-800°C using MATLAB simulations. The Dusty Gas Model (DGM) revealed key mass transport behaviors in the anode, while Density Functional Theory (DFT) using VASP provided insights into surface reaction mechanisms. A microkinetic model examined the impact of anode overpotential on reaction kinetics and cell performance. Results show that higher temperatures improve mass transport and reduce Ohmic losses but slightly decrease the thermodynamic driving force. This multi-scale model enhances our understanding of SOFC behavior and offers a basis for improving fuel cell efficiency and material performance.
Keywords: Thermodynamic analysis; Dusty Gas Model (DGM); Reaction kinetics; Density Functional Theory (DFT); Multi-Scale Modeling