重質油の構造モデリング(<特集>反応モデリング-石炭・重質油・バイオマス-)

概要

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An average molecular structural analysis is a powerful tool to understand the feature of heavy oil and its fractions including maltene and asphaltene. A support program for the analysis runs on Microsoft Excel for Windows. The program usually requires the C, H, N and S contents by elemental analysis, hydrogen and carbon type distributions by ^1H and ^<13>C NMR analyses and an average molecular weight. However, several users perform the analysis without ^<13>C NMR analysis because it takes quite a long time using a large sample amount. In the present paper, the estimation process of the analysis is introduced step by step for the deep understands of the analysis using four examples, three for maltenes and one for asphaltene. The analyses for maltenes were performed well without carbon aromaticity. However, there were too many candidates for asphaltene. These results show that the number of aromatic carbon, which is usually calculated from carbon aromaticity and the number of total carbons, is neccesary to obtaine proper results. For heptane-insoluble fraction, the carbon aromaticity can be estimated from the results of elemental analysis and ^1H-NMR using a regression equation we proposed.
2011-02-20