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Structural study of oxygen ion conduction in microporous Mayenite
The crystal unit cell of mayenite, 12CaO.7Al2O3, consists of a cubic lattice of [Ca24Al28O64]4+ with the remaining 2*O2- contained in cages, which are linked by channels within... -
The application of INS to investigate the methanol-to-gasoline reaction over ...
We propose to use MERLIN to measure INS from commercial zeolite catalyst samples extracted from a reactor in which they have been exposed to dimethylether for different lengths... -
Probing the Mobility of Simple Phenolic Lignin Monomers for Model Development...
Due to the importance of developing efficient biomass conversion processes, the mobility of lignin constituents phenol and catechol in zeolite Beta will be studied using QENS.... -
Atomic and pore structure of crystallizing zeolite precursors
We will investigate a series of aluminosilicate systems, zeolite chabazite, ZSM-5, Zeolite Y and Zeoltie A and determine the short and medium range order structures and the... -
Site-specific adsorption and local dynamics of water molecules in natural zeo...
Already in the low temperature region of water adsorption behaviour in natural zeolites, the faujasites, two important questions arise that require further investigation: (i)... -
Effect of Q on the INS spectrum of coordinated small molecules in frameworks:...
We request 3 days on MARI to investigate the effect of Q on the previously determined partial phonon density of states of a zeolite framework with a low concentration of... -
Compression mechanisms of LTA and EMT zeolites
We request 4 days to collect high-resolution structural high-pressure data on two zeolites - zeolite A and EMC-2. Our previous theoretical findings from geometric simulation... -
Atomic and pore structure of amorphous zeolites
We will investigate a series of amorphised zeolitic solids and determine the short and medium range order structures and more importantly the nature of pore-size when we go from... -
Study of ordered silicon connectivity defects in the novel zeolite ITQ-45
The structure of the novel pure silica zeolite ITQ-45 has been recently determined in our laboratory. However, although it appears to be a fully connected framework, 29Si NMR... -
Coordinated, Recoiling Molecules Tethered by Hydrogen Bonding: Ammonia in Zeo...
We request 5 days on IRIS to investigate the hindrance to molecular rotation of ammonia in a zeolite framework due to hydrogen bonding interactions. This is a tied proposal to... -
A series of robust metal-organic frameworks with exceptional capability for h...
We seek to develop new stable MOFs for practical gas separation and request 3 days on WISH to study the preferred binding sites of adsorbed gas molecules (CD4, C2D4 and C2D2)... -
Total scattering measurement of EMT framework zeolite: does it obey Lowenstei...
Zeolites are meso- and nano-porous framework materials with applications in many industries. The zeolite framework consists of corner-sharing tetrahedral units. The catalytic... -
Feasibility study of detectability levels of hydrogen, oxygen and silicon in ...
This dataset has no description
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Probing Interactions between Brønsted Acid sites and Phenolic Lignin Monomers...
We propose to measure the vibrational spectra of phenolic lignin monomers phenol and catechol in zeolite Beta, in order to understand further the interactions of these important... -
Zeo-1: A computational data set of zeolite structures
Fast, empirical potentials are gaining increased popularity in the computational fields of materials science, physics and chemistry. With it, there is a rising demand for... -
A data-science approach to predict the heat capacity of nanoporous materials
The heat capacity of a material is a fundamental property that is of significant practical importance. For example, in a carbon capture process, the heat required to regenerate... -
Zeo-1: A computational data set of zeolite structures
Fast, empirical potentials are gaining increased popularity in the computational fields of materials science, physics and chemistry. With it, there is a rising demand for... -
TuTraST data for methane diffusion in IZA structures
Data for the case study of TuTraSt on methane diffusion in zeolites, using a standard kinetic Monte Carlo simulation based on the output of our grid analysis. We find that it is...