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Molecular Modelling of Industrial Gases Separation by Adsorption on Metal-Organic Frameworks

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dc.contributor Giménez i Font, Xavier
dc.contributor Bahamón García, Daniel
dc.creator Tur Marí, Marta
dc.date 2018-07-24T10:37:51Z
dc.date 2018-07-24T10:37:51Z
dc.date 2018-06
dc.date.accessioned 2024-12-16T10:26:35Z
dc.date.available 2024-12-16T10:26:35Z
dc.identifier http://hdl.handle.net/2445/123861
dc.identifier.uri http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/21313
dc.description Treballs Finals de Grau d'Enginyeria Química, Facultat de Química, Universitat de Barcelona, Curs: 2017-2018, Tutors: Xavier Giménez Font, Daniel Bahamón García
dc.description With the continuous growth of global energy demands and consequent climate change, the mitigation/elimination of the CO2 released from combustion has become a main goal. Therefore, new materials applied in the capture of this component have gained great interest in recent years. Metal Organic Frameworks (MOFs) are an example of this. In this project, in particular, the adsorption capacity of a specific MOF called Ni-MOF-74 is studied, since good results have been obtained a priori for pure CO2 adsorption with this material. The carbon dioxide separation from different mixtures present in energy generation cycles is evaluated, including post-combustion gases, syngas and biogas. Computational simulation has been used to that end (specifically the Monte Carlo’s method), which the aim to obtain adsorption isotherms for pure components and in mixture. The results obtained have been complemented with process simulations using typical mass and energy balances, identifying the most suitable regeneration technology for the separation of each one of the mixtures by using this material.
dc.format 87 p.
dc.format application/pdf
dc.language eng
dc.rights cc-by-nc-nd (c) Tur, 2018
dc.rights http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.rights info:eu-repo/semantics/openAccess
dc.source Treballs Finals de Grau (TFG) - Enginyeria Química
dc.subject Captura i emmagatzematge de diòxid de carboni
dc.subject Adsorció
dc.subject Simulació per ordinador
dc.subject Treballs de fi de grau
dc.subject Carbon sequestration
dc.subject Adsorption
dc.subject Computer simulation
dc.subject Bachelor's theses
dc.title Molecular Modelling of Industrial Gases Separation by Adsorption on Metal-Organic Frameworks
dc.type info:eu-repo/semantics/bachelorThesis


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