Molecular simulation studies of adsorption and diffusion : phenomena of gases in porous materials

Authors	B. Liu
Supervisors	B. Smit
Award date	04-11-2008
Number of pages	134
Organisations	Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type	PhD thesis
Note	Research conducted at: Universiteit van Amsterdam
Language	English
Downloads	Thesis Titlepage Contents Chapter 1 Introduction Chapter 2 Evaluation of a new force field for describing the adsorption behavior of alkanes in various pure silica zeolites Chapter 3 A new united atom force field for adsorption of alkenes in zeolites Chapter 4 Molecular simulation of adsorption of alkanes in sodium MOR-type zeolites using a new force field 51 Chapter 5 Understanding aluminium location and non-framework ions effects on alkane adsorption in aluminosilicates: a molecular simulation study Chapter 6 Molecular simulation of hydrogen diffusion in interpenetrated metal-organic frameworks Chapter 7 Enhanced adsorption selectivity of hydrogen and methane mixtures in metal-organic frameworks with interpenetration Summary Samenvatting (Summary in Dutch) Acknowledgements Published Work
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