Chemical vapor deposition process on the ZSM-5(010) surface as investigated by molecular dynamics

Article Abstract:

The molecular dynamics (MD) of a chemical vapor deposition process on the zeolite ZSM-5(010) surface has been studied by using the MOMODY simulation code. Si(OH)4 molecules were placed on the zeolite surface and the MD simulation was carried out for 12 ps. The atomic motions were calculated using the Verlet algorithm while the electrostatic interactions were determined through the Ewald method. It has been observed that H2O molecules form and evaporate on the surface. The formation of Si-O-Si bonds at the surface was also noticed, indicating crystal growth on the surface of ZSM-5(010).

Zeolites, Chemical vapor deposition

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Inclusion complexes of 2-methylnaphthoate and gamma-cyclodextrin: experimental thermodynamics and molecular mechanics calculations

Article Abstract:

A study was conducted to analyze the inclusion complexes of 2-methylnaphthoate (MN) with gamma-cyclodextrin. Steady-state fluorescence and molecular mechanics computations were utilized to carry out the analysis. MN was determined from 2-naphthoyul cloride and methanol in chloroform during the presence of triethylamine. Experimental results indicated that MN:gamma-cyclodextrin complexes are thermodynamically stable.

Fluorescence, Cyclodextrins

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