Assessment of Ionic Liquids as H2S Physical Absorbents by Thermodynamic and Kinetic Analysis based on Process Simulation

Santiago, Rubén, Lemus, Jesús, Xiao Outomuro, Ana, Bedia, Jorge y Palomar, José . (2019) Assessment of Ionic Liquids as H2S Physical Absorbents by Thermodynamic and Kinetic Analysis based on Process Simulation. Separation and Purification Technology, 233 (2020)

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Título Assessment of Ionic Liquids as H2S Physical Absorbents by Thermodynamic and Kinetic Analysis based on Process Simulation
Autor(es) Santiago, Rubén
Lemus, Jesús
Xiao Outomuro, Ana
Bedia, Jorge
Palomar, José
Materia(s) Ingeniería Industrial
Abstract A comprehensive evaluation of ionic liquids (ILs) as potential H2S absorbents was performed using both molecular and process simulation. First, the Conductor-like-Screening MOdel for Real Solvents (COSMO-RS method) was applied to select promising ILs absorbents and to understand the H2S gas solubility from a molecular point of view. The ILs screening more than 700 ionic combinations determines that H2S physical absorption is mainly controlled by the hydrogen-bond acceptor capacity of the anion, due to the easily hydrogen bond formation when mixed with the acidic solute. Based on molecular simulation analysis, 6 ILs of different nature were evaluated in a typical industrial packed absorption column using COSMO-based/Aspen Plus methodology. Equilibrium based simulations demonstrated higher H2S separation efficiency (i.e. lower solvent expenses and smaller equipment sizes) when increasing H2S absorption capacity of the IL solvent. In contrast, rigorous process simulation analysis (including kinetic equations) reveals a strong mass transfer kinetic control in the H2S absorption in commercial packed column, which severely limits the maximum H2S absorption given by thermodynamics. As a result, ILs that present the best performance in the thermodynamic aspect, become worse for the operation. In fact, it was found that H2S recovery at given operating conditions increases when decreasing the viscosity of IL, being 1-ethyl-3-methylimidazolium dicyanamide, the one that presents the best absorbent performance, requiring the lowest operating temperatures and liquid volume flows. Lastly, the absorption operation was designed to achieve fixed H2S recovery using different liquid/gas feed ratios, resulting in column heights and diameters inside the typical range marked by heuristic rules for usual industrial packed columns. In sum, current prospective study based on COSMO-RS and Aspen Plus have been proved as a useful tool to analyze the potential industrial application of ILs in the H2S capture and to select the most adequate ILs, before starting with experimental tests, highly demanding in cost and time.
Palabras clave H2S
Absorption
COSMO-RS
Ionic Liquids
Aspen Plus
Editor(es) Elsevier
Fecha 2019-09-07
Formato application/pdf
Identificador bibliuned:DptoIEEC-ETSI-Articulos-Rsantiago-0008
http://e-spacio.uned.es/fez/view/bibliuned:DptoIEEC-ETSI-Articulos-Rsantiago-0008
DOI - identifier 10.1016/j.seppur.2019.116050
ISSN - identifier 1383-5866
Nombre de la revista Separation and Purification Technology
Número de Volumen 233 2020
Publicado en la Revista Separation and Purification Technology, 233 (2020)
Versión de la publicación acceptedVersion
Tipo de recurso Article
Derechos de acceso y licencia http://creativecommons.org/licenses/by-nc-nd/4.0
info:eu-repo/semantics/openAccess
Tipo de acceso Acceso abierto
Notas adicionales This is an Accepted Manuscript of an article published by Separation and Purification Technology, available at Elsevier: https://doi.org/10.1016/j.seppur.2019.116050
Notas adicionales Este es el manuscrito aceptado del artículo publicado por Separation and Purification Technology, disponible en línea en Elsevier: https://doi.org/10.1016/j.seppur.2019.116050

 
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Creado: Tue, 16 Jan 2024, 20:32:20 CET