A model for determining physical and chemical properties of hydrocarbons boiling in the jet fuel range
- Univ. of Utah, Salt Lake City (USA)
Aviation turbine fuels (ATF) have been the subject of recent attention. Currently available ATF are derived principally from straight-run fractions from the crude tower. Compared to motor gasolines, for example, there has been relatively little research into refining hydrocarbon feeds to alter the molecular structure for improved ATF properties. In order to systematically determine the optimum structure for ATF a quantitative relationship between molecular structure and the physical and chemical properties must be known. A methodology for calculating properties for components of jet fuel has not been previously reported. Certain methods are of limited scope and do not address the range of molecular types present in ATF. Additionally, certain molecular types that may be desirable components of ATF have never been synthesized or isolated from natural products such that properties could be determined. A methodology for calculating properties from molecular structure, which possesses the capability of predicting properties for new or unstudied structures, would serve as the basis for fuels optimization research. In this paper they report a semi-empirical method for quantifying the relationship between properties and molecular structure. The mathematical relationships are given and a method for extrapolating data to unknown compounds is presented.
- OSTI ID:
- 5109066
- Report Number(s):
- CONF-8704350-; CODEN: ACPCA
- Journal Information:
- American Chemical Society, Division of Petroleum Chemistry, Preprints; (USA), Vol. 32:2; Conference: Symposium on structure of future jet fuels, Denver, CO (USA), 5-10 Apr 1987; ISSN 0569-3799
- Country of Publication:
- United States
- Language:
- English
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