STRUCTURAL ELUCIDATION, MOLECULAR REPRESENTATION AND SOLVENT INTERACTIONS OF VITRINITE-RICH AND INERTINITE-RICH SOUTH AFRICAN COALS
STRUCTURAL ELUCIDATION, MOLECULAR REPRESENTATION AND SOLVENT INTERACTIONS OF VITRINITE-RICH AND INERTINITE-RICH SOUTH AFRICAN COALS
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发表时间：
2008-06
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通讯作者：
D. V. Niekerk
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作者：
D. V. Niekerk
对两种南非煤进行了广泛的结构分析，它们具有相同的等级和年龄，但显微成分不同。研究了富惰质煤（以半辉石质煤为主）和富镜质煤（Waterberg煤）的结构异同。两种煤的碳含量（~ 84%,dmmf）和镜质组反射率相似（富镜质组平均最大值0.71%，富惰质组平均最大值0.75%），但氢含量不同（富镜质组6.23%，富惰质组4.53%）。富惰质煤芳香性更强（富惰质煤86%，富镜质煤76%），缩聚性更强（桥头堡碳含量较高）。富惰性煤结构有序，结晶堆积程度高。两种煤具有相似的芳香团簇大小（富镜质组为16个碳，富惰质组为18个碳）和团簇附着物数量（富镜质组为6个，富惰质组为5个）。质谱分析表明，两种煤的分子量分布相似；富镜质组煤的最大丰度为~450 m/z，富惰质组煤的最大丰度为~550 m/z。与Argonne优质煤相比，南非富含镜质组的Waterberg煤与高挥发性烟煤相当，而富含惰质组的Highveld煤更接近中低挥发性烟煤。两种煤在体积表征上惊人地相似，尽管富含惰性煤的Highveld煤在结构上更有序、缺氢和更芳香。
Two South African coals of the same rank and age, but different in maceral composition were subjected to extensive structural analyses. Inertinite-rich Highveld coal (dominated by semifusinite) and vitrinite-rich Waterberg coal were studied to determine structural differences and similarities. The two coals had similar carbon content (~84 %, dmmf) and vitrinite reflectance (mean-maximum 0.71 % for vitrinite-rich vs. 0.75 % for inertinite-rich), but differed in hydrogen content (6.23 % for vitrinite-rich and 4.53 % for inertinite-rich). The inertinite-rich coal was more aromatic (86 % for inertinite-rich and 76 % for vitrinite-rich) and more polycondensed (indicated by a higher bridgehead carbon content). The inertinite-rich coal was structurally more ordered, with a higher degree of crystalline stacking. Both coals had similar average aromatic cluster sizes (16 carbons for vitrinite-rich and 18 carbons for inertinite-rich) and number of cluster attachments (6 attachments for vitrinite-rich and 5 attachments for inertinite-rich). Mass spectrometry showed that both coals consist of similar molecular weight distributions; ranging to approximately 1700 m/z with a maximum abundance of ~450 m/z for the vitrinite-rich coal and ~550 m/z for the inertinite-rich coal. Compared to the Argonne Premium coals the South African vitrinite-rich Waterberg coal was comparable to the coals in the high-volatile bituminous range and inertinite-rich Highveld was closer to the medium to lowvolatile bituminous range. Both coals were surprisingly similar in bulk characterization, although inertinite-rich Highveld coal was structurally more ordered, hydrogen deficient, and more aromatic.