Prediction of the polar morphology of sodium chlorate using a surface-specific attachment energy model

Article Abstract:

The molecular ionic solid sodium chlorate has extensive applications in the pulp and agricultural industries. Computation studies were conducted to investigate the recrystallization and filtration of sodium chlorate. Crystallization of sodium chlorate was localized at the cubic space group P2(sub 1)3 (a = 6.575 Angstrom) with four NaClO3 formula units in the unit cell. The attachment energy of the crystal lattices was also measured. The findings were in agreement with observed morphologies in previous studies and revealed a chlorate rich {-1-1-1} form.

Models, Molecular structure, Filtration, Surface energy, Sodium chlorate

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Structural aspects of nanocrystals of transition-metal hexafluorides

Article Abstract:

Experiments were conducted to investigate the structure of nanocrystals formed from samples of gaseous molybdenum hexafluorides under varying expansion conditions. Diffraction patterns of the crystals were analyzed. To examine the effects of particle size and kinetics on the crystal structure, the orthorhombic phase of 10 nm crystals were also determined. The lattice constants remained insensitive to varying temperatures. Moreover, phase transformation in crystal formation were observed to be easier in vapors than in the solid state.

Solid state chemistry, Transition metal compounds, Vapors

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Crystallinity of polyethylene derived from solid-state proton NMR free induction decay

Article Abstract:

The different analytical functions characterizing the individual solid-state 1H NMR free induction (FID) decay signals coming from the crystalline and the amorphous phases of polyethylene are analyzed. The crystallinity was observed by a direct model fit to the FID. By employing statistical techniques, a model consists of a linear combination of a 'Pake' function, a 'Brereton' function and an 'exponential' function proves to give the best fit to the observed FID. The results are discussed.

Analysis, Polyethylene

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