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连接子介导聚集反应中每个单体的最佳连接子数量

Optimal number of linkers per monomer in linker-mediated aggregation.

作者信息

Antunes G C, Dias C S, Telo da Gama M M, Araújo N A M

机构信息

Departamento de Física, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.

出版信息

Soft Matter. 2019 May 8;15(18):3712-3718. doi: 10.1039/c9sm00483a.

Abstract

We study the dynamics of diffusion-limited irreversible aggregation of monomers, where bonds are mediated by linkers. We combine kinetic Monte Carlo simulations of a lattice model with a mean-field theory to study the dynamics when the diffusion of aggregates is negligible and only monomers diffuse. We find two values of the number of linkers per monomer which maximize the size of the largest aggregate. We explain the existence of the two maxima based on the distribution of linkers per monomer. This observation is well described by a simple mean-field model. We also show that a relevant parameter is the ratio of the diffusion coefficients of monomers and linkers. In particular, when this ratio is close to ten, the two maxima merge at a single maximum.

摘要

我们研究了单体的扩散限制不可逆聚集动力学,其中键由连接体介导。我们将晶格模型的动力学蒙特卡罗模拟与平均场理论相结合,以研究聚集体扩散可忽略不计且只有单体扩散时的动力学。我们发现每个单体连接体数量的两个值能使最大聚集体的尺寸最大化。我们基于每个单体连接体的分布解释了这两个最大值的存在。这一观察结果由一个简单的平均场模型很好地描述。我们还表明,一个相关参数是单体和连接体扩散系数的比值。特别地,当这个比值接近10时,两个最大值合并为一个最大值。

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