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首页> 外文期刊>Journal of surface investigation: x-ray, synchrotron and neutron techniques >Formation of Fullerene Clusters in Carbon Disulfide: Data on Small-Angle Neutron Scattering and Molecular Dynamics
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Formation of Fullerene Clusters in Carbon Disulfide: Data on Small-Angle Neutron Scattering and Molecular Dynamics

机译：二硫化碳中富勒烯团簇的形成：小角中子散射和分子动力学数据

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摘要

Fullerene solutions in carbon disulfide are studied by small-angle neutron scattering (SANS). In addition to earlier experiments on the given system, the range of measured transmitted impulses is extended and the influence of solution preparation methods on C_(c6luster fo0rmation i)n these solutions istudied. It ishown that the formation of large C_(60)clusters (with a size of about 10 nm) is due to nonequilibrium methods of solution preparation. For nonequilibrium dissolution, there is a 10% excess of the observed fullerene size in the solution over the calculated value. It has been established by simulation of the C_(i/62nteCrface 0bSy molec)ular dymanics methods that inclusion of how solvent molecules are organized on the C_(s6urface le0ads to a d)ecrease in the fullerene size in the solution, observed by using SANS. In this paper, the effect of excess R_8is explained by the presence of small clusters in the solution (approximately 10% of dissolved C_( 6m0) olecules). It is discovered that there is a time v ariation in the concentration of the saturated solution. The explanation of this effect using a model of formation and sedimentation of l arge clusters (with a size of 100 nm or more) is proposed.
机译：通过小角度中子散射（SANS）研究了二硫化碳中的富勒烯溶液。除了在给定系统上的早期实验之外，还扩展了测量的传输脉冲的范围，并研究了溶液制备方法对这些溶液的C_（c6luster形式）的影响。可以看出，大的C_（60）团簇（尺寸约为10 nm）的形成是由于溶液制备的非平衡方法所致。对于非平衡溶解，溶液中观察到的富勒烯尺寸比计算值超出10％。它是通过模拟C_（i / 62nteCrface 0bSy分子）动力学方法而建立的，该方法包括使用SANS观察到溶剂分子如何在C_（s6urfaces上过渡为d）的过程中富勒烯尺寸增加。在本文中，过量R_8的作用由溶液中小簇的存在（约10％溶解的C_（6m0）分子溶解）解释。发现饱和溶液的浓度随时间变化。建议使用大型星团（尺寸为100 nm或更大）的形成和沉积模型来解释这种效应。

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