PubMed · 3681778
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R Freilich, M Deiter. 1987. Fire on the unit.. https://pubmed.ncbi.nlm.nih.gov/3681778/
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Heats of formation have been calculated by the Gaussian-2 (G2) and/or G2MP2 method for a number of flammable gases. As a result, it has been found that the calculated heat of formation for compounds containing, such atoms as fluorine and chlorine tends to deviate from the observed values more than calculations for other molecules do. A simple atom additivity correction (AAC) has been found effective to improve the quality of the heat of formation calculation from the G2 and G2MP2 theories for these molecules. The values of heat of formation thus obtained have been used to calculate the heat of combustion and related constants for evaluating the combustion hazard of flammable gases.
A new index called RF number has been proposed for assessing the combustion hazard of all sorts of flammable gases and their mixtures. RF number represents the total expectancy of combustion hazard in terms of flammability limits and heat of combustion for each known and unknown compounds. The advantage of RF number over others such as R-index and F-number for classification of combustion hazard has been highlighted.