Multiscale exploration of hydrocarbons adsorption and hopping through the ZSM-5 channels - from Monte Carlo modelling to experiment

In this article the results of the statistical MC modelling corroborated by the FT-IR spectroscopy and gravimetric adsorption studies of the low aliphatic hydrocarbons in ZSM-5 (Si/Al =28 or...

ENHANCEMENT EFFECT OF LITHIUM-DOPING FUNCTIONALIZATION ON HYDROGEN ADSORPTION IN METAL-ORGANIC FRAMEWORK

Grand canonical Monte-Carlo simulation was carried out to study the effect of linker functionalization by Li atoms. In this work, two new Li-doping structures, MOF-808-Li and MOF-808-OLi were theoretically constructed by physical modification and chemical modification, respectively. The results show that both these methods can improve the hydrogen storage performance significantly, owing to the Li atoms increasing the interaction energy between the hydrogen molecules and the Li-doped MOF-808. Furthermore, MOF-808-OLi shows higher hydrogen capacity in comparison to the H2 adsorption in the MOF-808-Li, this can be attributed to the new adsorption sites created by oxygen atom. The gravimetric adsorption capacity of MOF-808-OLi can reach 3.17[Formula: see text]wt.% at 77[Formula: see text]K and 1[Formula: see text]bar, which are significantly higher than the hydrogen adsorption in the unmodified MOF-808.

Molybdenum disulfide as a highly efficient adsorbent for non-polar gases

Molybdenum disulfide with vacancies is predicted to be an efficient absorbent for CO2 and CH4 molecules, and the gravimetric adsorption can be as high as 42 wt%.

THE NET ADSORPTION OF HYDROGEN ON PALLADIUM NANOPARTICLES

In this paper, we report the synthesis of polymer coated palladium ( Pd ) nanoparticles through a single stage reduction of Pd 2+ ions by ethylene glycol. Polyvinyl pyrrolidone (PVP, MW 25,000) is used as a stabilizer. Self-assembled Pd nanoparticles (10–40 nm) were used in hydrogen adsorption studies. Gravimetric adsorption measurements were carried out in a pressure range of 0–26 bar at 293, 324, 364 and 392 K. Saturation for all isotherms was obtained within a few bars of pressure at all temperatures. Maximum hydrogen storage capacity observed was 0.58 wt.% at 324 K and 20 bar. Net adsorption calculations indicated that required tank volume (for storing a particular amount of hydrogen) can be significantly reduced by using a tank filled with Pd nanoparticle.