Publicação
Electrochemical and theoretical investigation on the behavior of the Co2+ ion in three eutectic solvents
| Resumo: | Deep eutectic solvents have many advantages, making them a promising alternative in replacing ionic liquids and organic solvents. Besides, DESs has received much prominence due to its diverse applications: Electrodeposition of metals, organic synthesis, gas adsorption, and biodiesel production. Therefore, this work analyzed the effect of the temperature increase (298 K to 353 K) on the behavior of the Co2+ ions in three eutectic solvents through electrochemical techniques and computational simulations. From the electrochemical analysis carried out, the increase in temperature caused a reduction in specific mass and an increase in the diffusion coefficient. Besides, the activation energy values were of 15.3, 29.9, and 55.2 kJ mol−1 for 1ChCl:2EG, 1ChCl:2U, and 1ChCl:2G, respectively. The computational simulations indicate that the increased temperature effect caused the replacement of DLH molecules by anions chloride around Co2+ ions for the SDW1 and SDW3 systems between the temperatures of 298 K to 353 K, except for the SDW2 system that the replaced occurred in the interval of 313 K to 353 K. Besides, the increase of temperature occasioned the increase of strength for Co-Cl interaction and weakened the interactions between the Co2+ ions with the oxygen of DLH molecules. |
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| Autores principais: | Bezerra, Lucas Lima |
| Assunto: | Deep eutectic solvents Cobalt Electrochemical techniques Computational |
| Ano: | 2021 |
| País: | Brasil |
| Tipo de documento: | dissertação de mestrado |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | IBICT |
| Idioma: | inglês |
| Origem: | Oasisbr |
| Resumo: | Deep eutectic solvents have many advantages, making them a promising alternative in replacing ionic liquids and organic solvents. Besides, DESs has received much prominence due to its diverse applications: Electrodeposition of metals, organic synthesis, gas adsorption, and biodiesel production. Therefore, this work analyzed the effect of the temperature increase (298 K to 353 K) on the behavior of the Co2+ ions in three eutectic solvents through electrochemical techniques and computational simulations. From the electrochemical analysis carried out, the increase in temperature caused a reduction in specific mass and an increase in the diffusion coefficient. Besides, the activation energy values were of 15.3, 29.9, and 55.2 kJ mol−1 for 1ChCl:2EG, 1ChCl:2U, and 1ChCl:2G, respectively. The computational simulations indicate that the increased temperature effect caused the replacement of DLH molecules by anions chloride around Co2+ ions for the SDW1 and SDW3 systems between the temperatures of 298 K to 353 K, except for the SDW2 system that the replaced occurred in the interval of 313 K to 353 K. Besides, the increase of temperature occasioned the increase of strength for Co-Cl interaction and weakened the interactions between the Co2+ ions with the oxygen of DLH molecules. |
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