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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Reply to the 'Comment on 'Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules' by F.-X. Coudert, A. H. Fuchs, and A. V. Neimark, Phys. Chem. Chem. Phys.
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Reply to the 'Comment on 'Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules' by F.-X. Coudert, A. H. Fuchs, and A. V. Neimark, Phys. Chem. Chem. Phys.

机译：回答F.-X关于“由客气分子的分散吸引引起的金属有机骨架主体体积收缩的评论”。 Coudert，A.H.Fuchs和A.V.Neimark，物理化学化学物理

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摘要

The comment on our recent paper1 has raised several interesting issues to which we would like to respond. First, we would like to emphasize that the main finding of our paper is that the hydrostatic volume shrinkage of MOF-5 upon H2 adsorption is mainly due to the van der Waals (vdw) interactions between the MOF and H2 and H2-H2 interactions, rather than Madelung-type electrostatic interactions2 previously reported. Moreover, in the paper, we show that the MOF volume shrinkage phenomenon depends on the kinds of hosts and guests as well as on adsorbate distributions within the pores, in contrast to one of the main points of the critique.
机译：对我们最近的论文1的评论提出了一些有趣的问题，我们希望对此做出回应。首先，我们想强调的是，本文的主要发现是，MOF-5在H2吸附后的静水体积收缩主要是由于MOF与H2和H2-H2相互作用之间的范德华（vdw）相互作用，而不是先前报道的Madelung型静电相互作用2。此外，在本文中，我们表明MOF体积收缩现象取决于主体和客体的类型以及孔中吸附物的分布，这与批评的要点相反。

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