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评估一种微孔钛双膦酸盐金属有机框架在变压真空吸附燃烧后碳捕集中的性能。

Evaluating the Performance of a Microporous Ti Bisphosphonate MOF for Postcombustion Carbon Capture by Vacuum Pressure Swing Adsorption.

作者信息

Krishnamurthy Shreenath, Heymans Nicolas, Wahidduzzaman Mohammad, Maurin Guillaume, Nandi Shyamapada, Blom Richard, Chakraborty Debanjan, Nouar Farid, Serre Christian, Mondino Giorgia, Mouchaham Georges, De Weireld Guy

机构信息

Process Technology, SINTEF INDUSTRY, 0373 Oslo, Norway.

Thermodynamics and Mathematical Physics Unit, University of Mons (UMONS), 7000 Mons, Belgium.

出版信息

Ind Eng Chem Res. 2025 Jul 23;64(31):15404-15416. doi: 10.1021/acs.iecr.5c00734. eCollection 2025 Aug 6.

DOI:10.1021/acs.iecr.5c00734
PMID:40785754
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12333008/
Abstract

A multiscale study was carried out to evaluate the microporous -Ti-bisphosphonate MIL-91-(Ti) sorbent for postcombustion CO capture in industrially relevant conditions. The process performance of the MOF was first assessed by using molecular simulated adsorption isotherms, which predicted an energy consumption of 1.65 MJ/kg and a productivity value of 0.42 mol/m. Subsequently, this Ti-MOF was characterized using several complementary experimental techniques, and the characterization data were supplied to a process simulator to assess energy consumption and productivity values for 95% purity and 90% recovery targets. The experimental adsorption isotherms resulted in a better process performance, with a minimum energy consumption of 1.03 MJ/kg and a maximum productivity of 0.61 mol/m. Such a discrepancy is likely to be due to the use of a generic force field that does not accurately capture host-guest intermolecular interactions in a highly confined environment of ultramicroporous MOFs like MIL-91. However, the lower energy consumption and higher productivity of this MOF, which are both desirable outcomes for CO capture processes, suggest the viability of MIL-91-(Ti) for implications in real CCS applications.

摘要

开展了一项多尺度研究,以评估用于工业相关条件下燃烧后二氧化碳捕集的微孔钛双膦酸盐MIL-91-(Ti)吸附剂。首先通过分子模拟吸附等温线评估该金属有机框架(MOF)的工艺性能,预测其能耗为1.65兆焦/千克,生产率值为0.42摩尔/立方米。随后,使用多种互补的实验技术对这种钛基MOF进行表征,并将表征数据提供给工艺模拟器,以评估达到95%纯度和90%回收率目标时的能耗和生产率值。实验吸附等温线显示出更好的工艺性能,最低能耗为1.03兆焦/千克,最大生产率为0.61摩尔/立方米。这种差异可能是由于使用了通用力场,该力场无法在像MIL-91这样的超微孔MOF的高度受限环境中准确捕捉主客体分子间相互作用。然而,这种MOF较低的能耗和较高的生产率,这两者都是二氧化碳捕集过程的理想结果,表明MIL-91-(Ti)在实际碳捕集与封存(CCS)应用中的可行性。

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