论文标题
接头和粒子的二进制混合物中的渗透:链接{\ it {vs}}分支
Percolation in binary mixtures of linkers and particles: chaining {\it {vs}} branching
论文作者
论文摘要
胶体颗粒的平衡凝胶可以通过引入第二种的引入来实现,该连接器介导胶体之间的键。在这项工作中考虑了形成二进制混合物的凝胶,其接头可以自组装成线性链,同时仍在促进颗粒的聚集。这些粒子是带有$ f_c $ type $ c $的补丁的斑点粒子,链接器是斑点粒子,$ 2 $类型$ a $ a $和$ f_b $ patch of类型B的贴片。研究了将链接到粒子键合的两种不同的方法(A模型和模型B) - 或诱导分支。在模型A中,链接和分支之间存在竞争,因为连接器和粒子之间的键仅通过$ AC $债券完成。在模型B链接器中,仅通过债券$ bc $汇总到粒子,从而独立于链条和分支。使用广义的洛遗址理论和蒙特卡洛模拟,详细研究了这两个模型的渗透行为。接头链的自组装减少了发生渗透所需的粒子的比例(模型A和B),并在颗粒的分数很高时诱导渗透(B)。当链的形成在能量上是有利的,通过增加分支的熵增益(模型A)时,通过加热和渗透环在温度组成图中进行渗透。发现链条和分支遵循模型依赖的关系,这表明,对于相同的组成,较长的链需要更少的分支才能发生渗透。
Equilibrium gels of colloidal particles can be realized through the introduction of a second species, a linker that mediates the bonds between the colloids. A gel forming binary mixture whose linkers can self-assemble into linear chains while still promoting the aggregation of particles is considered in this work. The particles are patchy particles with $f_C$ patches of type $C$ and the linkers are patchy particles with $2$ patches of type $A$ and $f_B$ patches of type B. The bonds between patches of type $A$ ($AA$ bonds) promote the formation of linear chains of linkers. Two different ways (model A and model B) of bonding the linkers to the particles - or inducing branching - are studied. In model A, there is a competition between chaining and branching, since the bonding between linkers and particles is done through $AC$ bonds only. In model B linkers aggregate to particles through bonds $BC$ only, making chaining and branching independent. The percolation behaviour of these two models is studied in detail, employing a generalized Flory-Stockmayer theory and Monte Carlo simulations. The self-assembly of linkers into chains reduces the fraction of particles needed for percolation to occur (models A and B) and induces percolation when the fraction of particles is high (model B). Percolation by heating and percolation loops in temperature composition diagrams are obtained when the formation of chains is energetically favourable, by increasing the entropic gain of branching (model A). Chaining and branching are found to follow a model dependent relation at percolation, which shows that, for the same composition, longer chains require less branching for percolation to occur.