Browsing by Author "Debisa Gemechisa"

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    Computational Investigatio of Mixed MgCl2/ CaCl2/MgSO4 Hydrated Materials for Thermochemical Energy Storage Applications
    (Addis Ababa University, 2024-06) Debisa Gemechisa; Getachaw Gizaw; Ahmed Mustefa
    Because of their excellent thermal energy storage, renewable nature, and sustainability, magnesium chloride hydrates have gained a lot of attention as potential energy storage materials.The processes of hydration and dehydration result in the discharge or charging of the MgCl2 salt substance.A magnesium chloride cluster has a higher energy than a MgCl2 formula unit.An effective approach for creating MgCl2 clusters was the computationally artificial bee colony algorithm. In addition, we optimized (MgCl2)n.mH2O and (MgCl2)n to obtain low lyining cluster structure using the VASP software. However, the side reaction known as hydrolysis impedes the cyclic kinetics response that occurs between the dehydration and hydration phases. The hydrolysis reaction and the dehydration reaction occur at different temperature intervals for different clusters.