电化学CO减排将溶剂水构成氧化物产品
在PubMed上查看摘要
概括
此摘要是机器生成的。在氧气来源于水,而不是CO时,一氧化碳 (COR) 的电化学还原可以产生乙醇. 这一发现需要重新评估先前在水溶液中的COR研究.
科学领域
- 电化学
- 催化剂
- 计算化学
背景情况
- 为了产生乙醇等氧化物,人们广泛研究了碳一氧化物的电化学还原.
- 之前的研究假定COR产品中的氧气完全来自CO,忽视了溶剂的作用.
研究的目的
- 在水性电解质中通过COR生产的乙醇中研究氧气的来源.
- 阐明将溶剂氧加入到COR产品中的反应机制.
主要方法
- 在H2O电解质中电化学降解C<sup>16</sup>O
- 用同位素标记来追踪氧气的来源.
- 所有溶剂密度函数理论的元动力学计算.
主要成果
- 产生的乙醇中60-70%含有来自H2O溶剂的O.
- 发现了一种涉及水分子Grotthuss链的新机制.
- 这种机制与*C-CH中间体的乙烯形成相竞争.
结论
- 乙醇中的氧可以来自水溶剂.
- 已经发现了一种新的反应途径,
- 由于这些发现,现有的对水性介质的COR研究需要重新审查.
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