The objective of this work was to study the adsorption and separation of the most important families of hydrocarbon compounds on metal-organic frameworks (MOFs), in comparison with zeolites. For this purpose, we have selected four probe molecules, each of them representing one of these families, i.e., o- and p-xylene as aromatics, 1-octene as an alkene, and n-octane as an alkane. The separation...

A calculation method for Henry constants of diatomic molecules in zeolite cages is proposed. The method is based on a molecular electrostatic potential approximation formulated within a density functional theory (DFT) context for the evaluation of interaction energies. This approach is compared with ab initio and “molecule-in-point-charge-field” calculations. The effect of wave function versus ...

The adsorptions of polyethylene glycol monomethyl ether (PEGMME) and dimethyl (PEGDME) on CaA, NaX, NaY, ZSM-5 zeolites have been analyzed by using experimental FT-IR Raman spectroscopies. vibration wavenumbers polymers adsorbed reported the adsorption properties with different molecular sizes cations compared. Disappearing some modes or shifts to higher lower frequency region after zeolites; i...

Abstract Zeolite heat storages are one measure to contribute the German Climate Change Act and reduce greenhouse gas emissions in heating sector. However, due challenging process engineering, those did not reach a commercial breakthrough yet. To overcome this obstacle, intensive simulation work is required. Thereby, models have pay attention recent innovations regarding zeolite synthesis. One o...

1. Introduction Zeolites are widely used in industry as molecular sieves, selective adsorbents, catalysts and ion exchangers (e.g. [1] and references therein). Therefore there is a great interest in studying the dynamics of guest molecules in such systems. Although vigorous research has been performed in the field, a complete understanding of the complex behaviour of guest molecules is still mi...

background aromatic organic solvents are extensively used in various industries. xylene is a colorless, transparent liquid, with the characteristic odor of the aromatic hydrocarbons family, which is widely used in industries. adsorption is a conventional method of purifying polluted air containing volatile organic compounds (vocs). zeolite has many unique properties such as high capacity, molec...