维特里尼特和内尼特之间的分子结构差异及其对煤炭转化和利用的影响
Zhifei Liu1,2, Daiyong Cao2, Gaojian Chen2
1China Coal Technology and Engineering Group Corp China Coal Research Institute, Beijing 100013, China.
ACS omega
|December 18, 2023
概括
这项研究表明,虽然内化煤具有更高的芳香度,但内化煤的进化速度更快. 在内定性上,它是内在的.
科学领域:
- 煤炭科学与化学 煤炭科学与化学
- 有机地化学 有机地化学
- 材料科学 材料科学 材料科学
背景情况:
- 维特里尼特和内提尼特是煤炭中关键的类,在化学结构和反应性上有很大的差异.
- 了解这些差异对于优化煤炭转化过程,如焦化和气化,以及开发先进材料至关重要.
- 之前的研究已经突出了结构差异,但需要对不同煤层进行详细的比较分析.
研究的目的:
- 为了比较不同级别的煤炭中玻璃矿石和内矿石之间的化学结构差异.
- 分析这些结构差异如何影响煤炭的转化和利用.
- 构建分子模型并模拟它们的行为,以了解反应性.
主要方法:
- 从三个煤样本 (高,中,低挥发性煤) 中分离玻璃矿石和内矿石.
- 芳香,亚利法和交联结构的分析.
- 构建分子结构模型和模拟化学键参数和分子动力学.
主要成果:
- 内提尼特显示出更高的芳香度和凝结度,但维特里尼特的演化速度更快.
- 多环芳含量随着煤炭的演变而增加;交联结构呈现出显著的扭曲.
- 乙烯-氧结合阻碍了宏分子分解;因特尼特中乙烯碳的较高含量导致焦化/气化中的反应性较低,但对石墨制备有好处.
结论:
- 玻璃石和内石之间的化学结构变化决定了它们的反应性和适合不同应用的适用性.
- 内提尼特的先进结构使其在转化时不那么有反应性,但对煤基石墨有好处.
- 基于这些马特有的结构性质,可以制定有针对性的利用策略.
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