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Important structural attributes of petroleum molecules (e.g. number of aromatic rings, number of naphthenic rings, number and length of aliphatic side chains) were assembled into molecules according to quantitative probability density functions for each attribute.
These physicochemical properties are molecular weight, SlogP, TPSA, rotatable bonds, hydrogen bond acceptors and donors, number of rings, number of nitrogen and oxygen atoms.
The peak location exhibits a shift that can be explained in terms of the aromatic rings number and of the condensation rate of the polyaromatic structure.
A total of 10 descriptors were calculated using PowerMV [28] descriptor calculator software namely molecular weight, XLogP, PSA, H-bond Donor, H-bond Acceptor, number of Rotatable Bond Count, number of rings, number of nitrogen atoms, number of oxygen atoms and number of sulphur atoms.
Be careful with rings number 13, 14, and 15 as they are located above a structurally busy region with poles and tall obstacles.
Similar(55)
When Ring = 16 (the mean ring number of a 5-ring outerwood core collected from a 20-year-old tree after allowing 1.5 years for the stem to attain breast height), the model estimates the Wood Density Index.
The average growth ring number from the pith was measured for each heartwood block.
M. Morelet (DTR) and heartwood ring number (HWRN), are examined in this paper.
where r is the ring number and m is the number of facets available in the ring.
Equation (A3) requires a measurement of both wood density and ring width at a known ring number.
The radial variation in breast-height wood density was predicted as a function of either ring number or both ring number and ring width, with the latter model better accounting for the effects of stand spacing.
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