Dinâmica molecular de eletrólito para baterias de sódio confinados entre eletrodos
Data
2022-11-25
Autores
Costa, Gabriel Batista da 
Orientadores
Siqueira, Leonardo José Amaral de
Tipo
Trabalho de conclusão de curso
Título da Revista
ISSN da Revista
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Resumo
Em função dos fatores ambientais, novas fontes de energia, capazes de substituir os combustíveis fósseis, estão sendo amplamente estudadas ao redor do mundo. Sendo assim, as baterias e supercapacitores, que são dispositivos de armazenamento de energia, também tem sido amplamente estudado. Sendo assim, é importante a busca por novas medidas, aliadas à compreensão, em nível molecular, desses dispositivos. No projeto, foram realizadas simulações por Dinâmica Molecular de eletrólitos para baterias com o potencial constante entre os eletrodos. Como uma alternativa às baterias de íon lítio o trabalho propõe um estudo para baterias de íon sódio, que quando comparados o íon lítio possuem uma maior disponibilidade e, consequentemente, um custo menor. Neste estudo, é explorado um sistema composto pelo líquido iônico [EMIM-B(CN)4], que vem da mistura entre cátion 1-etil-3-metilmidazólio ([EMIM]+) e o ânion tetracianoborato ([B(CN)4]-), e suas misturas com Na[B(CN)4] e PEO6. É estudado o comportamento da mistura do líquido iônico [EMIM-B(CN)4] com Na[B(CN)4] e PEO6 na interface com eletrodo em diferentes voltagens, 0 V e 4 V.
Due to environmental factors, new energy sources capable of replacing fossil fuels are being widely studied around the world. Therefore, batteries and supercapacitors, which are energy storage devices, has been extensivaly studied. Therefore, it is important to search for new measures, combined with the understanding, at a molecular level, of these devices. In this work, Molecular Dynamics simulations of electrolytes for batteries with constant potential between the electrodes were performed. As an alternative to lithium ion batteries, this work proposes a study of sodium ion batteries, which, when compared to lithium ion, have greater availability and, consequently, a lower cost. In this study, a system composed of the ionic liquid [EMIM-B(CN)4] is explored, which comes from the mixture between 1-ethyl-3- methylmidazolium cation ([EMIM]+) and the tetracyanoborate anion ([B(CN)4]-), and their mixtures with Na[B(CN)4] and PEO6. The behavior of the mixture of the ionic liquid [EMIM-B(CN)4] with Na[B(CN)4] and PEO6 at the electrode interface at different voltages, 0 V and 4 V, is studied.
Due to environmental factors, new energy sources capable of replacing fossil fuels are being widely studied around the world. Therefore, batteries and supercapacitors, which are energy storage devices, has been extensivaly studied. Therefore, it is important to search for new measures, combined with the understanding, at a molecular level, of these devices. In this work, Molecular Dynamics simulations of electrolytes for batteries with constant potential between the electrodes were performed. As an alternative to lithium ion batteries, this work proposes a study of sodium ion batteries, which, when compared to lithium ion, have greater availability and, consequently, a lower cost. In this study, a system composed of the ionic liquid [EMIM-B(CN)4] is explored, which comes from the mixture between 1-ethyl-3- methylmidazolium cation ([EMIM]+) and the tetracyanoborate anion ([B(CN)4]-), and their mixtures with Na[B(CN)4] and PEO6. The behavior of the mixture of the ionic liquid [EMIM-B(CN)4] with Na[B(CN)4] and PEO6 at the electrode interface at different voltages, 0 V and 4 V, is studied.