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Molar group contributions to the heat of combustion

✍ Scribed by Richard N. Walters

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
186 KB
Volume
26
Category
Article
ISSN
0308-0501

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✦ Synopsis

Abstract

Experimental results for the gross heat of combustion of over 140 commercial and developmental polymers and small molecules of known chemical structure were used to derive additive molar group contributions to the heat of combustion. The materials examined contained carbon, hydrogen, oxygen, nitrogen, phosphorus, sulphur, chlorine, fluorine and silicon in linear, branched and cyclic structures. Values for the molar group contributions were summed and divided by the molecular weight of the molecule or polymer repeat unit to yield the gross heat of combustion as determined by oxygen bomb calorimetry. This new method provides an accurate single step method for calculating the heat of combustion. The average relative error of the calculated gross heats of combustion is 2.8%. Published in 2002 by John Wiley & Sons, Ltd.

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