An inelastic neutron scattering and NIR-FT Raman spectroscopy study of chloroform and trichloroethylene in faujasites

Article Abstract:

Issues concerning the use of Ramon spectroscopy and inelastic neutron scattering to observe the strength and nature of interactions between tricholorethylene sorbates, chloroform and siliceous FAU, NaY, and NaZ zeolites are presented.

Observations, Deep inelastic collisions, Raman spectroscopy, Trichloroethylene

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Adsorption of guest molecules in zeolitic materials: computational aspects

Article Abstract:

The computation of thermodynamic properties of guest molecules in zeolites, using classical molecular simulation techniques is discussed. The result indicates that in contrast with the simulation of transport properties of guest molecules in zeolite frameworks in which order of magnitude agreement is obtained between experiments and simulation in such systems as alkane chains or benzene in silicate.

Science & research, All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Zeolites, Thermal properties, Mechanical properties

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Adsorption of chloroform in NaY zeolite: a computational and vibrational spectroscopy study

Article Abstract:

A study was conducted to analyze the structure and energetics of chloroform binding sites in NaY zeolite using vibrational spectroscopy and energy-minimization computations. The binding sites were also examined by the Monte Carlo packing procedure. A closed-cycle He refrigerator was utilized to obtain the inelastic neutron scattering spectrum. Experimental results indicated that the H atoms of chloroform molecules influence hydrogen bonding with the framework oxygens.

Analysis, Monte Carlo method, Monte Carlo methods, Vibrational spectra

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