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| NIRE Annual Report | 
| 1998 |
Measurement of Fundamental Kinetic Data on
Hydrocarbon Research Division |
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Objectives
Hydrocarbon compounds have been used for energy resources and industrialmaterials. Particularly, developments of technologies for conversion ofheavy hydrocarbons to high quality fuels are very important for securingquantity of energy resources and for reduction of impacts for global environment.In order to help develop a new industrial process, we have investigatedthermal decomposition mechanism of many hydrocarbon compounds and measuredelemental reaction rate constants. Fig.1 shows schematic diagram of verylow pressure pyrolysis. Under the reaction condition, we can measure rateconstants of initial reaction directly, because the secondary radical reaction,induced by collision of reactant molecules and produced radicals, can beignored completely.
Results
1-(4-(2-phenylethyl)benzyl) naphthalene is one of typical model compoundsfor heavy oil and coal derived liquid. In the thermal decomposition of1-(4-(2-phenylethyl) benzyl) under very low pressure, production of benzene,toluene, xylene, and naphthalene were detected by a quadrupole mass spectrometer.From these products, 1-(4-(2-phenylethyl)benzyl) is considered to decomposevia two channels as shown in Fig.2. Unimolecular rate constants (kuni)for the two reactions calculated from mass peak intensity of products areshown in Fig.3. The experimentally measured unimolecular rate constantmust be expressed Arrhenius equation by use of RRKM theory, because Boltzmannequilibrium distribution is not hold under very low pressure. The two rateconstants for thermal decomposition of 1-(4-(2-phenylethyl)benzyl) weremeasured directly by use of the very low pressure pyrolysis. We have beenstudying other many hydrocarbon compounds.