Multiscale Heat And Mass Transfer Modeling And Optimization Of Hydrogen Solid Storage Systems

This work presents an integrated approach for the optimal design and control of hydrogen storage beds. A detailed 2-D mathematical model is developed for metal hydride beds and validated against experimental and theoretical literature results. Based on recent advances in dynamic optimization, the model is used to find the optimal process design and operating strategy in order to minimize the storing time, while satisfying, a number of operating constraints (such as pressure drop limitations, cooling fluid availability and maximum tank temperature). Trade-offs between various objectives, alternative design options and optimal cooling control policies are revealed illustrating the potential of the approach. In a further step the model is used to exploit the benefits between material and process design. Systematic simulation and optimization studies are performed at two different length scales (tank and adsorbent pore level) for carbon based materials. The macroscopic approach determines the optimal values of the sorption parameters while, based on these results molecular simulation techniques are employed to determine the pore size distribution of the adsorbents.