Algoritmo genético aplicado à ligas multicomponentes para armazenagem de hidrogênio: implementação de novos parâmetros termodinâmicos
Abstract
Energy demand has increased significantly with the advancement of technology, which is
why it is important to study new sources of clean energy. An alternative that has been
studied and meets environmental standards is the storage of hydrogen in a solid state in
metal hydrides. In recent years, studies have been carried out with single-phase
multicomponent alloys with a body-centered cubic structure. Multicomponent alloys can
present good hydrogen storage results due to the large compositional field. This is important
as hydrogen storage properties directly depend on the composition. Therefore, composition
testing is necessary and a cheap and fast method is computational calculations. In this work,
two new parameters were added to a previously developed genetic algorithm, the phase
transition enthalpy and the plateau enthalpy, to assist in the construction of
pressure-temperature-composition diagrams. Nine problems were tested, the first five
problems with the same settings as the previous work with the new parameters, later four
more problems were tested with new settings of plateau enthalpy and molar mass. The
algorithm was able to meet most of the requirements, being tested with and without
composition restrictions. However, user experience is necessary to obtain good results.
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