The relationship between trace elements in coal and organic functional groups of coal, also some of aromatic structure, was investigated by using curve fitting of infrared spectra. Cluster analysis was also performed ...The relationship between trace elements in coal and organic functional groups of coal, also some of aromatic structure, was investigated by using curve fitting of infrared spectra. Cluster analysis was also performed according to the degree of affinity of organic groups to the trace elements. The results show that there is a possibility that trace elements, especially LREE, were bound to peripheral organic functional groups of middle rank coal macromolecule. The most possible functional group that binds trace element is the hydroxyl, and to the less degree, the asymmetric -CH3 and 〉CH2 stretching, -CH3 stretching, etc. The degree of affinity of trace elements to different functional groups varies. The tendency obeys the natural structural changing law of trace elements-- the periodic law. The deviation of some trace elements from this regular trend is attributed to the deviation of intrinsic ＂confusion degree＂ （conventional molar entropy） of the matter system of coal basin, which is affected by the inner and outer factors during the evolution.展开更多
: The TOF-SIMS fragment peak ascription of organic and inorganic ions of mineral-bituminous groundmass of Jurassic source rocks in the Turpan-Hami and Junggar basins was studied by using the high-resolution Time of Fl...: The TOF-SIMS fragment peak ascription of organic and inorganic ions of mineral-bituminous groundmass of Jurassic source rocks in the Turpan-Hami and Junggar basins was studied by using the high-resolution Time of Flight Secondary Ion Mass Spectrometer (TOF-SIMS). The characteristics of spectrum distribution and constitution of fragment ions of the mineral-bituminous groundmass are discussed; then the methods of evaluating its hydrocarbon-generating potential are developed. In addition, the typical parameters, XAL, Yox and ZAR, for indicating the hydrocarbon-generating potential of mineral-bituminous and other organic matter in source rocks are put forward to reflect the aliphatic, oxygenous, and aromatic structures. It is confirmed by Rock-Eval that these parameters are significant in evaluating hydrocarbon generation. Moreover, the detection of the nitrogenous and oxygenous fragment ion, CH5NO3+, in the mudstone formed in semi-deep lakes and in the carbargilite formed in the arms of lakes reflects the fact that microbes take an active part in biologic degradation.展开更多
This study highlights the response of the periodic variation of the geochemical behavior of elements to the thermal metamorphism of coal by considering the differentiation mode and differentiation degree of elements o...This study highlights the response of the periodic variation of the geochemical behavior of elements to the thermal metamorphism of coal by considering the differentiation mode and differentiation degree of elements of the C2 coal seam in the Fengfeng mining area of the Handan Coalfield in Hebei,China.The periodic variation of the geochemical behavior of elements was observed to change towards a certain direction as the degree of metamorphism of a geological body increased.Based on the coincidence degree(or similarity degree)between the geochemical behavior of elements and periodic variation of elements,the 57 elements in this study were divided into two levels.The periodic variation of the geochemical behavior of first-level elements was largely synchronous with that of their first ionization energy,suggesting that only one differentiation mode exists and the elements are mainly inorganically associated.The differentiation mode of the second-level elements deviated to a certain extent from their first ionization energy;the larger the deviation,the more complicated and diverse was the differentiation mode.Among the second-level elements,the grade of coal metamorphism has evident and intuitive effects on the proportion of elements with particular structural features,such as the 4q+3 type of elements and the odd-odd elements.In addition,the distribution of elements in organic and inorganic matter within coal are subject to the structural features of the elements.The differentiation mode and differentiation intensity of elements could be characterized by the hierarchical parameter and differentiation intensity.The hierarchical parameter and differentiation intensity of certain elements showed a good positive or negative correlation with R_(max) in coal.The 57 elements in this study were quantitatively ordered according to the degree of magmatic hydrothermal fluid influence and thermal metamorphism of coal through graphs depicting the goodness of fit,correlation coefficient with R_(max),and differentiation intensity.The results of this study are consistent with the results of previous field research,illustrating the scientific significance and application value of this study on the periodic variation of the geochemical behavior of elements.展开更多
基金supported by the National Science Foundation of China(Nos.41172143 and 40872101)Developmental Plan of Basic Research on Natural Science of Shanxi Province(20012JM5005)Science Research Plan of Shanxi education department(12JK0483)
文摘The relationship between trace elements in coal and organic functional groups of coal, also some of aromatic structure, was investigated by using curve fitting of infrared spectra. Cluster analysis was also performed according to the degree of affinity of organic groups to the trace elements. The results show that there is a possibility that trace elements, especially LREE, were bound to peripheral organic functional groups of middle rank coal macromolecule. The most possible functional group that binds trace element is the hydroxyl, and to the less degree, the asymmetric -CH3 and 〉CH2 stretching, -CH3 stretching, etc. The degree of affinity of trace elements to different functional groups varies. The tendency obeys the natural structural changing law of trace elements-- the periodic law. The deviation of some trace elements from this regular trend is attributed to the deviation of intrinsic ＂confusion degree＂ （conventional molar entropy） of the matter system of coal basin, which is affected by the inner and outer factors during the evolution.
文摘: The TOF-SIMS fragment peak ascription of organic and inorganic ions of mineral-bituminous groundmass of Jurassic source rocks in the Turpan-Hami and Junggar basins was studied by using the high-resolution Time of Flight Secondary Ion Mass Spectrometer (TOF-SIMS). The characteristics of spectrum distribution and constitution of fragment ions of the mineral-bituminous groundmass are discussed; then the methods of evaluating its hydrocarbon-generating potential are developed. In addition, the typical parameters, XAL, Yox and ZAR, for indicating the hydrocarbon-generating potential of mineral-bituminous and other organic matter in source rocks are put forward to reflect the aliphatic, oxygenous, and aromatic structures. It is confirmed by Rock-Eval that these parameters are significant in evaluating hydrocarbon generation. Moreover, the detection of the nitrogenous and oxygenous fragment ion, CH5NO3+, in the mudstone formed in semi-deep lakes and in the carbargilite formed in the arms of lakes reflects the fact that microbes take an active part in biologic degradation.
基金financial support from the National Natural Science Foundation of China(Grant Nos.41672145 and 42172191)the Science Foundation of Hebei(Grant No.D2021402013)。
文摘This study highlights the response of the periodic variation of the geochemical behavior of elements to the thermal metamorphism of coal by considering the differentiation mode and differentiation degree of elements of the C2 coal seam in the Fengfeng mining area of the Handan Coalfield in Hebei,China.The periodic variation of the geochemical behavior of elements was observed to change towards a certain direction as the degree of metamorphism of a geological body increased.Based on the coincidence degree(or similarity degree)between the geochemical behavior of elements and periodic variation of elements,the 57 elements in this study were divided into two levels.The periodic variation of the geochemical behavior of first-level elements was largely synchronous with that of their first ionization energy,suggesting that only one differentiation mode exists and the elements are mainly inorganically associated.The differentiation mode of the second-level elements deviated to a certain extent from their first ionization energy;the larger the deviation,the more complicated and diverse was the differentiation mode.Among the second-level elements,the grade of coal metamorphism has evident and intuitive effects on the proportion of elements with particular structural features,such as the 4q+3 type of elements and the odd-odd elements.In addition,the distribution of elements in organic and inorganic matter within coal are subject to the structural features of the elements.The differentiation mode and differentiation intensity of elements could be characterized by the hierarchical parameter and differentiation intensity.The hierarchical parameter and differentiation intensity of certain elements showed a good positive or negative correlation with R_(max) in coal.The 57 elements in this study were quantitatively ordered according to the degree of magmatic hydrothermal fluid influence and thermal metamorphism of coal through graphs depicting the goodness of fit,correlation coefficient with R_(max),and differentiation intensity.The results of this study are consistent with the results of previous field research,illustrating the scientific significance and application value of this study on the periodic variation of the geochemical behavior of elements.
