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Changes of Molecular System in Coal with Addition of Iodine

机译:添加碘使煤中分子系统的变化

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The thermal fluidity, solubility and swelling of coal are influenced by inter- and intra-molecular association forces such as hydrogen bonding and other secondary bonding present in the macromolecular structure. In our previous papers the interaction of coal molecules with iodine and tetracyanoquinodimethane, TCNQ, has been investigated Iodine and TCNQ as electron acceptors interact with coal molecules as an electron donor producing charge transfer complexes. A good correlation has been obtained between the spin concentration of coal-iodine complexes and carbon aromaticity of parent coal. This paper provides a deep insight of the interaction mechanism governed between coal and iodine by means of ESR measurement. Coal samples tested are mostly chosen from Argonne Premium coal samples. The analytical data for these samples are shown elsewhere. Zao Zhuang coal (C: 88.3, H: 5.3, O+S: 5.0 wt% d.a.f., ash: 16.7%) is also selected in this study. Iodine having a purity of >98% (guaranteed reagent) was selected as an electron acceptor. To avoid contamination of solvent molecules during the iodine doping, vapour phase method was provided. Both a known amount of coal particles (less than 100 mesh in size) placed on a glass dish and iodine powder placed on a separate dish were kept in nitrogen filled vessel at 30℃. ESR spectra were obtained using a Varian model E109 spectrometer. Spectral shape of the coal samples is considered to be narrow and broad components. Assuming that the respective narrow and broad components are consisted with a mixture of Gaussian and Lorentzian types in shape, we have examined curve deconvolution of the spectra applied by software 'Igor' (Wave Metrics).
机译:煤的热流动性,溶解度和溶胀受分子间和分子内缔合力的影响,例如氢键和大分子结构中存在的其他次级键。在我们以前的论文中,已经研究了煤分子与碘和四氰基对二甲烷TCNQ的相互作用,因为电子受体与煤分子作为电子给体产生电荷转移配合物而与碘和TCNQ相互作用。煤-碘配合物的自旋浓度与母煤的碳芳构性之间已获得良好的相关性。本文通过电渣重结晶(ESR)测量,深入了解了煤与碘之间的相互作用机理。所测试的煤样品大多选自Argonne Premium煤样品。这些样品的分析数据在其他地方显示。该研究还选择了枣庄煤(C:88.3,H:5.3,O + S:5.0 wt%d.a.f.,灰分:16.7%)。选择纯度> 98%的碘(保证试剂)作为电子受体。为了避免在碘掺杂过程中溶剂分子的污染,提供了气相法。将放置在玻璃皿上的已知数量的煤颗粒(尺寸小于100目)和放置在另一个皿上的碘粉均置于30℃的充氮容器中。使用Varian E109型光谱仪获得ESR光谱。煤样品的光谱形状被认为是窄而宽的成分。假设各个窄和宽分量由形状上的高斯和洛伦兹类型的混合物组成,我们已经检查了由软件“ Igor”(Wave Metrics)应用的光谱的曲线反卷积。

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