Authors: Liang Tong
Source: Le dépôt institutionnel (Université du Québec à Trois-Rivières) (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Simulations et optimisation de systèmes de stockage et de purification d'hydrogène en utilisant des adsorbants et des hydrures métalliques = Simulation and optimization of hydrogen storage and purification using adsorbents and metal hydrides Effective hydrogen storage and hydrogen purification play an important role in the energy market.Hydrogen can be stored using physical and chemical methods, such as the adsorption-desorption process based on adsorbents and the hydridingdehydriding process based on metal hydrides.Hydrogen also can be purified from mixture gases physically using adsorbents and chemically using metal hydrides.In this thesis, we examine storage and purification system optimisation strategies through numerical simulations using both adsorption on highly microporous materials and absorption in hydrides.In our work on hydrogen storage by physisorption, we examine the use of flowthrough cooling in an adsorption-based storage delivery tank in order to improve the system efficiency.We also examine the performance of a chemical storage system based on metal hydrides using a lumped parameter model to investigate system performance.An analytic solution was obtained and used as a benchmark for lumped/distributed parameter models.In addition, distributed parameter models have been developed to examine the thermal effect during hydriding on the system performance.In view of the large reaction heat released during hydriding, the coi ledtube heat exchanger is applied into the metal hydride hydrogen storage tank.Complete 3D models have been used to investigate the performance of metal hydride reactor equipped with complex heat exchanger.Reduced 2D models for coi led-tube heat exchangers have been examined and validated.Phase change materials such as paraffin RT35 can be used to store the heat energy during phase transition process.We examine their use in conjunction with various metal foams including aluminium foam and copper foam to improve thermal conductivity.These composited phase change materials were integrated to the metal hydride storage system for performance optimization.Hydrogen can be separated and purified from the gaseous mixtures physically using the adsorption phenomena or chemically through hydration ofmetallic materials.Pressure swing adsorption (PSA) is widely used for hydrogen purification.In our work on hydrogen purification by physisorption, we developed and validated a modeling strategy for a system using zeolite SA based on the extended Langmuir isotherm model and a iD computational fluid dynamics (CFD) approach in order to simulate the PSA system.The performance of a vacuum pressure swing adsorption (VPSA) system was compared with that of the PSA system.The resuIts show that VSPA can be used effectively to purify hydrogen .The validated PSA model was used to generate a dataset for training an artificial neural network (ANN) mode\.The trained ANN model and a multi-objective optimization function were used to obtain optimal operation conditions for the performance optimization of hydrogen purification system.Finally, we examined a chemical process based on metal hydrides to purify hydrogen.A lumped parameter model for the metal hydride hydrogen purification system has been developed and validated, the performances of this system are researched through parametric study. Chemistry Hydrogen Storage and Materials ; Catalysis and Hydrodesulfurization Studies