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Description:: Metal-organic frameworks (MOFs) are porous, crystalline materials synthesized by combining metal nodes and organic linkers through self-assembly. The diverse range of building blocks available allows for extensive tunability of MOFs, enabling the optimization of these materials for various applications, such as gas storage, separations, and catalysis. This study aimed to...
Keyword:: Molecular modeling, Xylene Separation, Monte carlo simulation, Chemical engineering, and Metal-organic framework
Subject:: Chemistry and Chemical engineering
Creator:: Li, Zhao
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 08/23/2023
Date Created:: 2023-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_1013711 and http://dissertations.umi.com/northwestern:16763

Description:: Metal–organic frameworks (MOFs) are a class of crystalline materials composed of metal nodes connected by organic linkers. Due to their high degree of synthetic tunability, MOFs have been considered for a wide range of applications, including many that rely on a change in oxidation state. While most MOFs are generally...
Keyword:: Computational screening, Density functional theory, Machine learning, and Metal-organic framework
Subject:: Chemical engineering
Creator:: Rosen, Andrew Scott
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 10/07/2021
Date Created:: 2021-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_838355 and http://dissertations.umi.com/northwestern:15675

Description:: Metal-organic frameworks (MOFs) are a class of nanoporous materials with highly tunable pore shape and chemistry. They are synthesized in a "building block" approach to form crystalline porous materials, which have been explored for diverse applications including gas storage and separations. Given the enormous size of the MOF design space,...
Keyword:: Molecular modeling, Adsorption, Cheminformatics, Database, Data science, and Metal-organic framework
Subject:: Chemical engineering
Creator:: Bucior, Benjamin James
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/12/2020
Date Created:: 2019-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_679201 and http://dissertations.umi.com/northwestern:14767

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