Index Catalog // Arch : Northwestern University Institutional Repository

Description:: From energy to materials, hydrocarbon chemistry drives our world. Stemming from the petrochemical industry, our understanding of CxHy combinations has allowed society to flourish, and hydrocarbons will likely remain valuable species in our future even as we transition to greener carbon and hydrogen sources. Currently, one of the most efficient...
Keyword:: nickel, catalysis, modeling, DFT, oligomerization, and acid zeolite
Subject:: Chemical engineering
Creator:: Koninckx, Elsa
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 06/22/2022
Date Created:: 2022-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_900740 and http://dissertations.umi.com/northwestern:16036

Description:: Lewis acids are an important class of catalysts for chemical synthesis and manufacturing. Tris-(pentafluorophenyl)borane (FAB) catalyst has been discovered as an excellent Lewis acid catalyst for a great variety of reactions in organic and organometallic chemistry, particularly for alkoxylation reactions which is relevant to the industrial production of polyether alcohols....
Keyword:: Microkinetic modeling, Catalysis, Ring opening, DFT, Mechanism, and Lewis acid
Subject:: Chemical and Biological Engineering
Creator:: Ying Yu
Owner:: Scholarly Digital Publishing
Date Uploaded:: 10/28/2018
Date Modified:: 01/29/2019
Date Created:: 2017-01-01
Resource Type:: Dissertation

Description:: Metal oxide surfaces are generally recognized as active substrates for many catalytic reactions. Density Functional Theory (DFT) has been found as a useful computational tool to investigate the geometry, energy, electronic structure of reactive oxide surfaces and their interaction with small molecules and fragments. In this thesis, primary efforts have...
Keyword:: DFT
Subject:: Chemistry
Creator:: Xiaoyan Ma
Owner:: Scholarly Digital Publishing
Date Uploaded:: 08/13/2018
Date Modified:: 08/13/2018
Date Created:: 2007-07-06
Resource Type:: Dissertation

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