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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Interfacial Insights into a Carbon Capture System: CO2 Uptake to an Aqueous Monoethanolamine Surface
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Interfacial Insights into a Carbon Capture System: CO2 Uptake to an Aqueous Monoethanolamine Surface

机译：碳捕集系统的界面洞察：CO2吸收到含水单乙醇胺表面

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摘要

Monoethanolamine (MEA) is a benchmark scrubber for CO2 gas emissions reductions. Preliminary studies have indicated surface monoethanolamine could influence the greater chemistry of CO2 uptake. MEA is known to be surface active and orients at aqueous surfaces such that its nitrogen lone pair electrons are pointing toward the gas phase. This MEA orientation has the potential to facilitate CO2 surface chemistry; however, a thorough description of the chemistry at play during this important carbon capture reaction is lacking. These studies investigate the surface behavior of MEA during CO2 gas flow, monitoring product formation and species migration. A combination of experimental vibrational sum frequency spectroscopy (VSFS), surface tensiometry, molecular dynamics simulations, and density functional calculations are used to investigate this complex chemistry. CO2 is shown to react with MEA, perturbing the interface and leading to the presence of carbamic acid in the surface region. However, throughout this chemistry the surface remains largely populated by unreacted MEA. These studies provide insight into this important carbon capture reaction and provide a framework for future work examining interfacial reactions and dynamics.
机译：单乙醇胺（MEA）是用于CO2气体排放的基准洗涤器。初步研究表明，表面单乙醇胺可以影响CO2摄取的更大化学。已知MEA在水性表面上是表面活性和或者，使得其氮气缸对电子指向气相。这种MEA取向有可能促进CO2表面化学;然而，缺乏在这种重要的碳捕获反应期间在游戏中进行彻底描述。这些研究探讨了在CO2气体流动期间MEA的表面行为，监测产品形成和物种迁移。使用实验振动和频谱（VSF），表面张力学，分子动力学模拟和密度官能计算的组合来研究这种复杂的化学。 CO 2显示与MEA反应，扰动界面并导致表面区域中的氨基甲酸存在。然而，在整个化学方面，表面仍然受到未反应的MEA填充的。这些研究提供了对这一重要碳捕获反应的洞察力，并为未来的工作进行检查检查界面反应和动态提供框架。

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