Insights into Selective Gas Sorbent Functionality Gained by Using Time-Resolved Neutron Diffraction.,ChemPlusChem

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Insights into Selective Gas Sorbent Functionality Gained by Using Time-Resolved Neutron Diffraction.
ChemPlusChem ( IF 3.0 ) Pub Date : 2018-05-22 , DOI: 10.1002/cplu.201800210
Josie E Auckett ₁ , Samuel G Duyker ₂ , David R Turner ₃ , Stuart R Batten ₃ , Vanessa K Peterson ₁

Affiliation

An understanding of the atomic-scale interactions between gas sorbent materials and their molecular guests is essential for the identification of the origins of desirable function and the rational optimization of performance. However, characterizations performed on equilibrated sorbent-guest systems may not accurately represent their behavior under dynamic operating conditions. The emergence of fast (minute-scale) neutron powder diffraction coupled with direct, real-time quantification of gas uptake opens up new possibilities for obtaining knowledge about concentration-dependent effects of guest loading upon function-critical features of sorbent materials, including atomic structure, diffusion pathways, and thermal expansion of the sorbent framework. This article presents a detailed investigation of the ultramicroporous metal-organic framework [Cu3 (cdm)4 ] as a case study to demonstrate the variety of insights into sorbent performance that can be obtained from real-time characterizations using neutron diffraction.

中文翻译：

通过使用时间分辨中子衍射获得的选择性气体吸收剂功能的见解。

了解气体吸附剂材料及其分子客体之间的原子尺度相互作用对于识别所需功能的起源和合理优化性能至关重要。但是，在平衡的吸附－客体系统上进行的表征可能无法准确地表示其在动态操作条件下的行为。快速（微尺度）中子粉末衍射的出现以及对气体吸收的直接实时定量分析，为获得有关客体负载对吸附剂材料的功能关键特征（包括原子结构）的浓度依赖性效应的知识提供了新的可能性，吸附剂框架的扩散途径和热膨胀。

更新日期：2018-05-22

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