A quartz crystal microbalance (QCM) was utilized to measure the water content in ethanol. For the improvement of measurement sensitivity, the QCM was modified by applying zeolite particles on the surface with poly(methyl methacrylate) (PMMA) binder. The measurement performance was examined with ethanol of 1% to 5% water content in circulation. The experimental results showed that the frequency ...

Highly porous, crystalline zeolite catalysts are used industrially to catalyze the conversion of methanol to gasoline. We have performed a picosecond spectroscopic study providing insights into both the structure and the dynamics of methanol adsorbed to acid zeolites. We reveal the adsorption structure of methanol at the catalytically reactive site and show that the reaction of this complex in ...

ZnO nanoparticles were synthesised within the pores of the zeolite ferrierite (FER) by a novel molten salt impregnation method and compared to a traditional wet impregnation method. The structure and optical properties were characterised by powder XRD, photoluminescence and UV-visible diffuse reflectance spectroscopy. The XRD results reveal a distinct difference in the effect of the impregnatio...

Coal seam gas (CSG) is the extraction of methane gas that is desorbed from the coal seam and brought to the surface using a dewatering and depressurisation process within the saturated coalbed. The extracted water is often referred to as co-produced CSG water. In this study, co-produced water from the coal seam of the Bowen Basin (QLD, Australia) was characterised by high concentration levels o...

In the present paper, we report a molecular dynamics (MD) simulation study for the structure and dynamics of H+ ions in non-rigid dehydrated H12-A zeolite framework at 298.15 K, using the same method we used in our previous studies of rigid and non-rigid zeolite-A frameworks. It is found that two different structures appear, depending on the choice of the Lennard-Jones parameter (σ) for the H+ ...

The photochemistry of dibenzyl ketone and its derivatives has been employed to investigate the ability of zeolite molecular sieves to modify and to control the reaction channels available to organic molecules adsorbed on the internal and external zeolite surfaces. It is found that the observed photochemistry is very sensitive to the size/shape characteristics of the substrate ketones and of the...

The decontamination reactions of O,S-diethyl methyl phosphonothiolate, as an agricultural organophosphorous pesticide onto 20 wt% loaded manganese dioxide nanoparticles-silver-Y zeolite as a nanocomposite catalyst in different solvents, were evaluated and monitored by means of gas chromatography–flame ionization detector and gas chromatography–mass spectrometry. Prior to the reaction, the catal...

We have conducted large-scale screening of zeolite materials for CO2/CH4 and CO2/N2 membrane separation applications using the free energy landscape of the guest molecules inside these porous materials. We show how advanced molecular simulations can be integrated with the design of a simple separation process to arrive at a metric to rank performance of over 87,000 different zeolite structures,...

The extent to which spatial constraints influence rates and pathways in catalysis depends on the structure of intermediates, transition states, and active sites involved. We aim to answer, as we seek insights into catalytic mechanisms and site requirements, persistent questions about the potential for controlling rates and selectivities by rational design of spatial constraints around active si...