Solvent refined lignite and solvent refined coal structural features. Computerized methodology development. [7 refs]

Solvent refined lignite (SRL) and bituminous coal (SRC) are by definition very nonvolatile substances, but are quite soluble in certain organic solvents. Thus, MS-computer techniques are not very applicable for deriving structural information. However, many other powerful spectroscopic techniques are applicable. An attempt is being made to computerize an approach for gaining a great deal of information rapidly about average molecules in SRL and SRC, based on experimental data obtained from NMR, uv, average molecular weight, total analyses, acidities, and basicities. In addition, fluorescence-phosphorescence spectra and more unusual NMR (e.g., /sup 15/N) techniques may be used in the future. For comparisons SRL or SRC is separated into acids, bases, and neutrals by column chromatography and each fraction subjected to analyses. Also, liquids derived from catalytic hydrotreating of SRL or SRC are subjected to MS-computer analysis as well as these solution spectroscopic techniques, and comparisons made. Mixtures of pure model compounds are also subjected to the analyses for standardization purposes. ''Average molecule'' comparisons of SRL and SRC from batch and continuous processes have been made and information has been obtained on the acid-base functionalities, size and type of aromatic groups and connecting links. Also, the computerized approach outlined including ''dominance tests''more » for measuring the worth of certain data.« less