Commensurate adsorption of hydrocarbons and alcohols in microporous metal organic frameworks
1.1. Background and History Commensurate adsorption is an interesting and important
phenomenon occurring during adsorption processes, where the molecular size and shape …
phenomenon occurring during adsorption processes, where the molecular size and shape …
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity
B Smit, TLM Maesen - Chemical reviews, 2008 - ACS Publications
Zeolites are intriguing materials. The basic building blocks are corner sharing TO4 units,
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …
Diffusion in zeolites
The dynamic properties of adsorbed molecules play a central role in reactions and
separations that take place within the cavities of zeolites and other shape-selective …
separations that take place within the cavities of zeolites and other shape-selective …
[图书][B] Selective oxidation by heterogeneous catalysis
Selective Oxidation by Heterogeneous Catalysis covers one of the major areas of industrial
petrochemical production, outlining open questions and new opportunities. It gives keys for …
petrochemical production, outlining open questions and new opportunities. It gives keys for …
Temperature and loading-dependent diffusion of light hydrocarbons in ZIF-8 as predicted through fully flexible molecular simulations
Accurate and efficient predictions of hydrocarbon diffusivities in zeolitic imidazolate
frameworks (ZIFs) are challenging, due to the small pore size of materials such as ZIF-8 and …
frameworks (ZIFs) are challenging, due to the small pore size of materials such as ZIF-8 and …
Generation and reactions of organic radical cations in zeolites
H García, HD Roth - Chemical reviews, 2002 - ACS Publications
The structures and catalytic properties of zeolites have been intensively investigated as
prototypes of acidic industrial catalysts. 1-12 Zeolites were first introduced as catalysts for …
prototypes of acidic industrial catalysts. 1-12 Zeolites were first introduced as catalysts for …
Mechanism and prediction of gas permeation through sub-nanometer graphene pores: comparison of theory and simulation
Due to its atomic thickness, porous graphene with sub-nanometer pore sizes constitutes a
promising candidate for gas separation membranes that exhibit ultrahigh permeances …
promising candidate for gas separation membranes that exhibit ultrahigh permeances …
[图书][B] Handbook of surfaces and interfaces of materials, five-volume set
HS Nalwa - 2001 - books.google.com
This handbook brings together, under a single cover, all aspects of the chemistry, physics,
and engineering of surfaces and interfaces of materials currently studied in academic and …
and engineering of surfaces and interfaces of materials currently studied in academic and …
Structure and dynamics of zeolites investigated by molecular dynamics
P Demontis, GB Suffritti - Chemical Reviews, 1997 - ACS Publications
Among the materials which are of interest for chemical science and technology, zeolites are
oustanding for their special characteristics and multifarious and widespread uses. Their …
oustanding for their special characteristics and multifarious and widespread uses. Their …
Design, parameterization, and implementation of atomic force fields for adsorption in nanoporous materials
Molecular simulations are an excellent tool to study adsorption and diffusion in nanoporous
materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal …
materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal …