Confinement Effects on the Benzene Orientational Structure
Confinement Effects on the Benzene Orientational Structure
复制标题
对苯取向结构的限制作用
DOI：
10.1002/ange.201713115
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发表时间：
2018
影响因子：
--
通讯作者：
Falkowska M
中科院分区：
文献类型：
--
作者：
Falkowska M
约束下的液体表现出与其相应的体相不同的性质，例如，混溶性、相变和扩散。其根本原因是分子的局部有序，这通常只使用纯模拟方法进行研究。本文利用全中子散射测量，从实验上推导了MCM - 41中苯的结构。该研究揭示了分子在孔隙中的分层，对于半径为18 Å的孔隙，可以区分出四个同心圆柱壳。与散装液体的结构相比，液体的纳米尺度限制对分子之间观察到的空间和取向相关性有主要影响。这些差异在平行构型的分子中最为明显，这表明密闭液体和散装液体之间的化学反应性存在差异。
Liquids under confinement exhibit different properties compared with their corresponding bulk phases, for example, miscibility, phase transitions, and diffusion. The underlying cause is the local ordering of molecules, which is usually only studied using pure simulation methods. Herein, we derive experimentally the structure of benzene confined in MCM‐41 using total neutron scattering measurements. The study reveals a layering of molecules across a pore, and four concentric cylindrical shells can be distinguished for a pore with the radius of 18 Å. The nanoscale confinement of the liquid has a major effect on the spatial and orientational correlations observed between the molecules, when compared with the structure of the bulk liquid. These differences are most marked for molecules in parallel configurations, and this suggests differences in chemical reactivity between the confined and bulk liquids.
影响因子：
3.3
作者：
Mancinelli, R.;Imberti, S.;Ricci, M. A.
通讯作者：
Ricci, M. A.
影响因子：
1.8
作者：
Alba-Simionesco, C;Dosseh, G;Xia, Y
通讯作者：
Xia, Y
影响因子：
2.8
作者：
Soper, Alan K.
通讯作者：
Soper, Alan K.