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- Resumen es exacto "The aim of the present thesis is to develop a framework for the continuum-scale dynamic simulation of electrochemical devices. This framework allows for access to fundamental electrodic processes and species transport within electrochemical devices for energy storage and conversion. First, an electrochemical model based on physical principles is developed for the anode of a hydrogen fuel cell. For this model, an equation is developed for the dipole-dipole interaction energy for molecules on the electrode surface, in the presence of multiple dipolar species. The model is applied to the fenomenon of sustained oscillations in the electrode potential under carbon monoxide poisoning. The model is able to qualitatively reproduce experimental results from bibliography without the need for an empirical parameter fit. Model sensitivity is studied for kinetic parameters and monoxide concentration in the hydrogen feed. Finally, a simplified anode model is coupled with a 1D fuel cell model in order to study the conditions under which sustained oscillations occur. Secondly, a pseudo-bidimensional model is developed for a cylindrical lithium-ion battery with thermal effects. A variable amount of modelling points for the coupling of electrochemical and thermal models. The optimal amount of modelling points is studied in terms of experimental discharge curve reproduction, temperature and thermal generation profiles as a function of processing power required for the simulation. Thirdly, an electrochemical model is developed for the discharge of the cathode of a lithium-sulfur battery under the quasi-solid-state mechanism. The model is able to quantitatively adjust to experimental results, and is able to the variable composition of sulfur-containing species in the cathode pore during discharge. The discharge mechanism is studied in order to obtain the characteristics of the rate determining step. A sensitivity analysis is performed in order to determine which parameters have a greater effect on the system behavior."
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