Organic-association of Ge in the coal-hosted ore deposits: An experimental and theoretical approach
Organic-association of Ge in the coal-hosted ore deposits: An experimental and theoretical approach
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煤质矿床中 Ge 的有机缔合：实验和理论方法
DOI：
10.1016/j.oregeorev.2019.103291
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发表时间：
2020-02
影响因子：
3.3
通讯作者：
Dai Shifeng
中科院分区：
文献类型：
--
作者：
Wei Qiang;Cui Chaonan;Dai Shifeng
乌兰图嘎锗矿床和临沧锗矿床均为大型煤成锗矿床。高锗煤中锗的富集主要与有机质有关，但锗的具体成键位置尚不清楚。在本研究中，常规谱分析利用~（13）C NMR和KBr-FTIR方法和密度泛函理论（DFT）计算研究了乌兰图嘎和临沧两个矿床中锗富集的官能团，半定量NMR和FTIR分析结果表明，酚羟基受到HCl-H_2O_2的影响，而酚羟基受到HCl-H_2O_2的影响，酚羟基受到HCl-H_2O_2的影响。通过比较两种高锗煤的微粉化和酸脱矿腐殖土的结构，发现HF处理和HF处理的腐殖土最可能是锗的成键位点。选择邻苯二酚、苯酚、乙醇、乙酸和苯甲酸5种酸性羟基模型化合物研究了Ge-O配合物的结合性质，结果表明，酚羟基由于更容易通过氢解离而暴露氧，具有更高的反应活性，这是Ge-O配合物形成的关键步骤.实验和计算结果均支持酚羟基对两个矿床中Ge的固定作用，但不排除其他含氧基团的贡献，这有助于从煤的结构角度了解高Ge煤中Ge的赋存状态，揭示煤成Ge矿床中Ge的有机缔合机理。
The Wulantuga and Lincang germanium deposits in China are both giant coal-hosted Ge deposits. It is a consensus that the enriched Ge in the high-Ge coals is predominantly associated with the organics, but the specific bonding sites for Ge still remain unclear. In the present study, conventional spectral analyses (13C NMR and KBr-FTIR) and the density functional theory (DFT) calculations were used to investigate the functional groups responsible for Ge accumulation in the Wulantuga and Lincang deposits.The analytical results of the semi-quantitative NMR and FTIR suggest that the phenolic hydroxyls suffered alteration by HCl-HF treatment and are most likely the bonding sites for Ge by comparing the structures of the micronized and acid demineralized huminites from two high-Ge coals. Five acidic hydroxyl containing model compounds (catechol, phenol, ethanol, acetic acid, and benzoic acid) were selected to investigate the binding nature of Ge-O complexes, and the results indicate that phenolic hydroxyls have higher reactivity relative to other groups due to the easier exposure of oxygen by hydrogen dissociation, which is the key step for the formation of Ge-O complexes. Both the experiment and calculation results support the significance of phenolic hydroxyls for Ge fixation in the two deposits, but the present study does not exclude the possible contribution of other O-containing groups.This study facilitates understanding the mode of occurrence of Ge in the high-Ge coals and revealing the mechanism of the organic association of Ge in the coal-hosted Ge ore deposits from the perspective of coal structure.
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影响因子：
5.6
作者：
Ketris, M. P.;Yudovich, Ya. E.
通讯作者：
Yudovich, Ya. E.
影响因子：
7.4
作者：
T. Takanohashi;Takahiro Shishido;H. Kawashima;I. Saito
通讯作者：
T. Takanohashi;Takahiro Shishido;H. Kawashima;I. Saito
影响因子：
2.5
作者：
Qiang Wei;Yuegang Tang
通讯作者：
Qiang Wei;Yuegang Tang
影响因子：
5.3
作者：
Qiang Wei;S. M. Rimmer;S. Dai
通讯作者：
Qiang Wei;S. M. Rimmer;S. Dai
DOI：
10.1016/0375-9474(79)90535-9
发表时间：
1979-10
期刊：
Nuclear Physics
影响因子：
--
作者：
M. Girod;B. Grammaticos
通讯作者：
M. Girod;B. Grammaticos