Computational Investigatio of Mixed MgCl2/ CaCl2/MgSO4 Hydrated Materials for Thermochemical Energy Storage Applications

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dc.contributor.advisorGetachaw Gizaw
dc.contributor.advisorAhmed Mustefa
dc.contributor.authorDebisa Gemechisa
dc.date.accessioned2025-08-17T23:20:38Z
dc.date.available2025-08-17T23:20:38Z
dc.date.issued2024-06
dc.description.abstractBecause 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.
dc.identifier.urihttps://etd.aau.edu.et/handle/123456789/6945
dc.language.isoen_US
dc.publisherAddis Ababa University
dc.subjectComputational Investigatio
dc.subjectMixed MgCl2/ CaCl2/MgSO4 Hydrated
dc.subjectMaterials for Thermochemical
dc.subjectEnergy Storage Applications
dc.titleComputational Investigatio of Mixed MgCl2/ CaCl2/MgSO4 Hydrated Materials for Thermochemical Energy Storage Applications
dc.typeThesis

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