4.6 Article

Molecular dynamics simulation and in-situ MRI observation of organic exclusion during CO2 hydrate growth

期刊

CHEMICAL PHYSICS LETTERS
卷 764, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.cplett.2020.138287

关键词

Organic exclusion; Hydrate growth; Carbon dioxide; Molecular dynamics; Magnetic resonance imaging

资金

  1. National Natural Science Foundation of China [52006024]

向作者/读者索取更多资源

The study found that organic macromolecules cannot be trapped in the hydrate structure but instead form a concentration gradient of dissolved organic substances during hydrate formation. This demonstrates the potential of hydrate-based technology for organic wastewater treatment.
Inorganic substances and most organic compounds are typically excluded from crystalline hydrate structures. In this study, the phenomenon and mechanism of organic exclusions during hydrate formation were investigated using MD simulations and in-situ observations with an MRI experimental apparatus. The results showed that the organic macromolecules could not be trapped in the hydrate structure and formed a concentration gradient of dissolved organic substances from the growth front of the CO2 hydrate into the aqueous solution. This study demonstrates the hydrate-based technology would be a promising method for organic wastewater treatment.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据