Adsorbenssynthese und Mehrskalenmodellierung von CO2-Einfang/Adsorbent Synthesis and Multi-scale Modeling of Carbon Capture

吸附剂合成和 CO2 捕集的多尺度模拟/吸附剂合成和碳捕集的多尺度模拟

• 批准号: 205675079
• 负责人: Professor Dr. Frerich Keil
• 金额: --
• 依托单位: Institut für Chemische Reaktionstechnik V-2
• 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/205675079?language=en
• 关键词: Adsorbenssynthese; und; Mehrskalenmodellierung; von; CO2

Carbon dioxide emissions from fossil fuel combustion are considered a major contributor to climate change. The CO2 emission can be reduced considerably by post-combustion capture of CO2 adsorbed from power plant flue gas using zeolites or MOFs. A particular problem is the strong adsorption of water inside many nanoporous materials. Prominent examples are open metal site MOFs. One objective of the present proposal is to computationally study and characterize the water adsorption phenomena in nano-porous materials. A theoretical model to interpret the water adsorption behavior in the pores of nano-porous materials will be developed, also a working mixed-gas model to predict physical properties of water containing flue gases at various conditions inside nano-pores. Furthermore, the parasitic-energy model will be extended by including water. A parasitic energy look-up tool will be integrated into a full-fledged open source carbon capture platform. In order to design adsorbers/desorbers multi-component self-diffusion and transport-diffusion coefficients of the flue gas components and their mixtures will be calculated. Finally, a technical concept of a fuel carbon capture plant will be designed.

化石燃料燃烧产生的二氧化碳排放被认为是气候变化的主要因素。通过使用沸石或MOF对发电厂烟气中吸附的CO2进行燃烧后捕获，可以大大减少CO2排放。一个特别的问题是水在许多纳米多孔材料内的强吸附。突出的例子是开放金属位点MOF。本提案的一个目标是计算研究和表征纳米多孔材料中的水吸附现象。本论文将建立一个理论模型来解释纳米多孔材料孔隙中的水吸附行为，同时建立一个混合气体工作模型来预测纳米孔隙内不同条件下含水烟气的物理性质。此外，寄生能量模型将通过包括水来扩展。寄生能量查找工具将被集成到一个成熟的开源碳捕获平台中。为了设计吸附器/解吸器，将计算烟气组分及其混合物的多组分自扩散和输送扩散系数。最后，将设计燃料碳捕获工厂的技术概念。