Tojo Concha, Dios Miguel de, Barroso Fernando
Physical Chemistry Department, Faculty of Chemistry, University of Vigo, E-36310 Vigo, Spain.
Materials (Basel). 2010 Dec 29;4(1):55-72. doi: 10.3390/ma4010055.
The effect of the surfactant on the size, polydispersity, type of size distribution and structure of nanoparticles synthesized in microemulsions has been studied by computer simulation. The model simulates the surfactant by means of two parameters: the intermicellar exchange parameter, k, related to dimer life time, and film flexibility parameter, f, related to interdroplet channel size. One can conclude that an increase in surfactant flexibility leads to bigger and polydisperse nanoparticle sizes. In addition, at high concentrations, the same reaction gives rise to a unimodal distribution using a flexible surfactant, and a bimodal distribution using a rigid one. In relation to bimetallic nanoparticles, if the nanoparticle is composed of two metals with a moderate difference in reduction potentials, increasing the surfactant flexibility modifies the nanoparticle structure, giving rise to a transition from a nanoalloy (using a rigid film) to a core-shell structure (using a flexible one).
通过计算机模拟研究了表面活性剂对微乳液中合成的纳米颗粒的尺寸、多分散性、尺寸分布类型和结构的影响。该模型通过两个参数模拟表面活性剂：与二聚体寿命相关的胶束间交换参数k和与液滴间通道尺寸相关的膜柔韧性参数f。可以得出结论，表面活性剂柔韧性的增加会导致纳米颗粒尺寸更大且多分散。此外，在高浓度下，相同的反应使用柔性表面活性剂会产生单峰分布，而使用刚性表面活性剂会产生双峰分布。关于双金属纳米颗粒，如果纳米颗粒由还原电位有适度差异的两种金属组成，增加表面活性剂柔韧性会改变纳米颗粒结构，导致从纳米合金（使用刚性膜）转变为核壳结构（使用柔性膜）。
