In this work, we explore the concepts of molecular dynamics (MD) to investigate the energy storage capacity of supercapacitors (SCs) composed of amino acid-based ionic liquids (AAILs) as pure and hydrated electrolytes, and graphene electrodes. The choice to use AAILs is motivated by environmental concerns, as these compounds are biodegradable. We focused our efforts on models composed of 1-ethyl-3-methylimidazolium (emim) combined with alanine (ala), valine (val), leucine (leu), and isoleucine (ile). Furthermore, we aimed to optimize the biodegradable properties by considering different hydration levels of the electrolyte. We analyzed the models subjected to hydration in proportions of 10 %, 20 %, 30 %, 40 %, and 90 %. This research addresses the lack of detailed studies on the effect of hydration on AAIL electrolytes in supercapacitors, evaluating their impact on energy storage and electric double layer (EDL) formation, and highlights the potential of AAILs as electrolytes for supercapacitors, offering a biodegradable option for energy storage without a loss of efficiency. The results obtained showed capacitances between 2.29 and 2.71 µF/cm2, and gravimetric energy densities ranging from 4.4 to 4.8 J/g for electrolytes with high ion concentrations, and from 6.5 to 6.8 J/g for devices with low ion concentration electrolytes. These values indicate excellent potential for application in the context of energy storage, reinforcing the viability of AAILs as an environmentally friendly and efficient solution for supercapacitors.
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