Diseño molecular de líquidos iónicos con alta capacidad y baja viscosidad para la captura de co2.
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Date
2024
Journal Title
Journal ISSN
Volume Title
Publisher
Universidad de Concepción
Abstract
El dióxido de carbono (CO2) es uno de los gases de efecto invernadero más abundantes y el principal contribuyente al cambio climático mundial debido a su creciente concentración en la atmósfera. Para mitigar las emisiones de carbono liberadas a la atmósfera producidas por la combustión de combustibles fósiles, se han explorado diversas estrategias, siendo una de estas la captura del CO2. A gran escala, la captura y almacenamiento de CO2 es considerada como una solución efectiva para mitigar las emisiones de carbono por unidad de energía generada. Sin embargo, el alto consumo de energía, el impacto ambiental por pérdidas de solventes y problemas de corrosión asociados con la depuración acuosa de aminas subrayan la necesidad de desarrollar nuevos procesos sostenibles basados en una economía circular que utilicen nuevos materiales para capturar CO2 de procesos de alta emisión. En este contexto, los líquidos iónicos (ILs) emergen como solventes diseñables con alta capacidad de captura de CO2 y son objeto de intensa investigación. Este estudio se utiliza la ecuación de estado molecular electrolítica ePC-SAFT advanced para modelar y predecirlas propiedades termodinámicas de ILs basados en piridinio y pirrolidinio, como la densidad, solubilidad y viscosidad, con el objetivo de identificar ILs adecuados para el proceso de captura de CO2 de postcombustión, que cumplan con bajos valores de constantes de Henry (buena solubilidad) y baja viscosidad dinámica. Se analizan las principales tendencias observadas para estas propiedades y se propone una lista de ILs, además de diferentes alternativas para incrementar la eficacia de este proceso de captura, sugiriendo estudios futuros con los ILs identificados.
Entre los líquidos iónicos evaluados, [Cnpy][Tf2N] con n = 2, 4 ; [Cnmpy][Tf2N] con n = 2, 4 ; [Cnmpyr][Tf2N], con n= 3, 4 ; [C4mpy][DCA]; [C4mpyr][DCA] y [C4mpyr][Ac] destacan como una selección de ILs con una solubilidad y viscosidad aceptable para el proceso de absorción de CO2.
Carbon dioxide (CO2) is one of the most prevalent greenhouse gases and the primary contributor to global climate change due to its rising atmospheric concentration. To mitigate carbon emissions generated by the combustion of fossil fuels, various strategies have been investigated, one of them involves capturing CO2. At an industrial scale, carbon capture and storage is considered an effi cacious approach to mitigate carbon emissions per unit of energy produced. However, the high energy consumption, environmental impact from solvent losses, and corrosion issues associated with aqueous amine scrubbing underscore the necessity to develop novel sustainable processes based on a circular economy, utilizing advanced materials for CO2 capture from high-emission sources. In this context, ionic liquids (ILs) emerge as customizable solvents with a high affinity for CO2 capture and are the focus of intensive research. This study employs the advanced ePC SAFT molecular electrolyte equation of state to model and predict the thermodynamic proper ties of pyridinium- and pyrrolidinium-based ILs, including density, solubility, and viscosity, with the objective of identifying suitable ILs for post-combustion CO2 capture that have low Henry’s law constants (good solubility) and low dynamic viscosity. The primary trends observed in the se properties are analyzed, and a list of promising ILs is proposed, along with various strategies to enhance the efficacy of this capture process, suggesting avenues for future research with the identified ILs. Among the ionic liquids evaluated, [Cnpy][Tf2N] with n = 2, 4 ; [Cnmpy][Tf2N] with n = 2, 4 ; [Cnmpyr][Tf2N], with n= 3, 4 ; [C4mpy][DCA]; [C4mpyr][DCA] and [C4mpyr][Ac] stand out as a selection of ILs with acceptable solubility for the CO2 absorption process.
Carbon dioxide (CO2) is one of the most prevalent greenhouse gases and the primary contributor to global climate change due to its rising atmospheric concentration. To mitigate carbon emissions generated by the combustion of fossil fuels, various strategies have been investigated, one of them involves capturing CO2. At an industrial scale, carbon capture and storage is considered an effi cacious approach to mitigate carbon emissions per unit of energy produced. However, the high energy consumption, environmental impact from solvent losses, and corrosion issues associated with aqueous amine scrubbing underscore the necessity to develop novel sustainable processes based on a circular economy, utilizing advanced materials for CO2 capture from high-emission sources. In this context, ionic liquids (ILs) emerge as customizable solvents with a high affinity for CO2 capture and are the focus of intensive research. This study employs the advanced ePC SAFT molecular electrolyte equation of state to model and predict the thermodynamic proper ties of pyridinium- and pyrrolidinium-based ILs, including density, solubility, and viscosity, with the objective of identifying suitable ILs for post-combustion CO2 capture that have low Henry’s law constants (good solubility) and low dynamic viscosity. The primary trends observed in the se properties are analyzed, and a list of promising ILs is proposed, along with various strategies to enhance the efficacy of this capture process, suggesting avenues for future research with the identified ILs. Among the ionic liquids evaluated, [Cnpy][Tf2N] with n = 2, 4 ; [Cnmpy][Tf2N] with n = 2, 4 ; [Cnmpyr][Tf2N], with n= 3, 4 ; [C4mpy][DCA]; [C4mpyr][DCA] and [C4mpyr][Ac] stand out as a selection of ILs with acceptable solubility for the CO2 absorption process.
Description
Tesis presentada para optar al grado académico de Magíster en Ciencias con Mención en Ingeniería Química
Keywords
Líquidos iónicos, Dióxido de carbono, Química analítica