Aligned Carbon Nanotubes as Porous Materials for Selective Gas Adsorption and Desorption

定向碳纳米管作为选择性气体吸附和解吸的多孔材料

基本信息

批准号：
206083427
负责人：
Professor Dr. Florian Müller-Plathe
金额：
--
依托单位：
Fachgebiet Physikalische Chemie
依托单位国家：
德国
项目类别：
Priority Programmes
财政年份：
2011
资助国家：
德国
起止时间：
2010-12-31 至 2018-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/206083427?language=en
关键词：
Aligned Carbon Nanotubes Porous Materials

项目摘要

Summary Our efforts during funding period three will continue to be aimed at gaining a solid understanding of the adsorption of gases in highly ordered arrays of carbon nanotubes (CNTs). The technological incentive is the potential of such arrays as adsorbents for noxious components of flue gases, such as CO2, SO2, NOx and H2S, i.e. for gas purification. On a fundamental scientific level, however, CNT arrays are also perfect model systems for the investigation of gas adsorption in carbon materials. We can manufacture them reproducibly with well-controlled geometry parameters (tube diameter, intertube distance, length), which makes them ideal for comparison with theoretical simulation studies. Building on our results from funding periods 1 and 2, we will continue to use experimental techniques (targeted preparation, spectroscopic characterization and specific adsorption measurements under ambient and high pressure) in tandem with theoretical methods (grand-canonical Monte Carlo simulations of adsorption thermodynamics, molecular dynamics for transport processes, and analytical models) to obtain a unified picture of the adsorption mechanisms at the molecular level. The range of scientific questions and the methods to be used will be expanded. The specific foci of our research in funding period three will be on: Adsorption of mixtures. This includes the explanation of adsorption selectivities for certain components with a view to separation and purification processes, as well as an understanding of positive and negative mutual interference in the adsorption of multiple gases. As part of this subtopic, we will also investigate mixtures with one component being water, as humidity is omnipresent in technical applications. Charged nanotube arrays. Our theoretical studies have predicted that the adsorption of CO2 can be modulated by electrical charges placed on the CNT arrays. We will now try and verify these predictions in an experimental set-up to measure gas adsorptivity of electrically contacted CNT arrays whose charge can be externally controlled. Simultaneously, further simulations for other gases will be performed. We will also investigate the possibility of using electrically contacted blocks of CNT arrays as electrostatic swing adsorption/desorption devices. Chemically modified CNTs. We have shown that plasma treatment and high-temperature CO2 treatment are able to chemically modify the CNT surfaces, sometimes leading to drastically increased gas adsorption. These studies will be continued and accompanied by realistic simulations with the aim of obtaining a molecular understanding of the adsorption capability of individual surface groups and defects, their mutual interaction and their selectivity. The results of these combined efforts will be used to suggest target surface functionalisations with tailored adsorption and selectivity profiles.

总结，我们在资金期间的努力将继续旨在获得对高度有序的碳纳米管（CNT）中气体吸附的可靠了解。技术激励措施是诸如烟气气体（例如CO2，SO2，NOX和H2S）的有害成分的吸附剂等阵列的潜力，即用于气体纯化。然而，从基本的科学水平上，CNT阵列也是研究碳材料中气体吸附的理想模型系统。我们可以使用良好控制的几何参数（管直径，Intertube距离，长度）可重复生产它们，这使它们与理论模拟研究相比是理想的。基于我们从1和2的资金期间取得的结果，我们将继续使用实验技术（在环境和高压下的目标制备，光谱表征和特定的吸附测量）与理论方法（Grand-Canonical Monte Carlo（Grand-Canonical Monte Carlo）（用于吸附热力学，分子动力学的群体图片），从分子水平。科学问题和要使用的方法的范围将扩大。我们在资金期间研究的具体焦点将于三个：混合物的吸附。这包括对某些组件的吸附选择性的解释，以观察分离和纯化过程，以及对多种气体吸附的正面和负相互干扰的理解。作为此亚主题的一部分，我们还将研究与水的一个组成部分的混合物，因为湿度在技术应用中无所不在。带电的纳米管阵列。我们的理论研究已经预测，CO2的吸附可以通过放置在CNT阵列上的电荷来调节。现在，我们将尝试在实验设置中验证这些预测，以测量可以外部控制电荷的电气接触的CNT阵列的气体吸附性。同时，将对其他气体进行进一步的模拟。我们还将研究使用电接触的CNT阵列作为静电秋千的吸附/解吸装置的可能性。化学修饰的CNT。我们已经表明，血浆处理和高温二氧化碳处理能够化学修改CNT表面，有时会导致气体吸附大幅增加。这些研究将继续并伴随着逼真的模拟，目的是获得对单个表面组和缺陷的吸附能力的分子理解，它们的相互作用及其选择性。这些组合工作的结果将用于暗示具有量身定制的吸附和选择性曲线的目标表面功能。