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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Modeling the Precipitation of Polydisperse Nanoparticles Using a Total Interaction Energy Model
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Modeling the Precipitation of Polydisperse Nanoparticles Using a Total Interaction Energy Model

机译:使用总相互作用能模型对多分散纳米颗粒的沉淀进行建模

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A thermodynamic model is presented that can accurately predict, typically within 5%, the average size and size distribution of size-selectively precipitated nanoparticles. A total interaction energy model was developed which accounts for: (1) the interaction of two differently sized ligand-stabilized nanoparticles in a solvent plus antisolvent mixture, (2) the collapsing of the ligand shell as the solvent strength of the mixture decreases, and (3) the variability of the ligand surface coverage of the nanoparticle. A total interaction energy model equates the sum of potential energies for all forces acting on a nanoparticle pair (van der Waals attractive, osmotic repulsive, and elastic repulsive) to that of the Brownian motion energy to predict the nanoparticle size combinations that can be dispersed or would be precipitated under varying solvent conditions. Combining this with simple probabilities describing the frequency of combinations between differently sized nanoparticles leads to average sizes and distributions of precipitated and dispersed nanoparticles at various solvent conditions. The application of this model has been successfully demonstrated by the size-selective fractionation of dodecanethiol-stabilized gold nanoparticles dispersed in hexane and precipitated by the addition of CO2.
机译:提出了一种热力学模型,该模型可以准确地预测(通常在5%范围内)尺寸选择性沉淀的纳米颗粒的平均尺寸和尺寸分布。建立了总相互作用能模型,该模型解释了:(1)溶剂加反溶剂混合物中两种不同尺寸的配体稳定的纳米颗粒之间的相互作用;(2)随着混合物溶剂强度的降低,配体壳的塌陷;以及(3)纳米颗粒的配体表面覆盖率的变化性。总相互作用能模型将作用在纳米颗粒对上的所有力(范德华吸引力,渗透排斥和弹性排斥)的势能之和等于布朗运动能量的势能之和,以预测可以分散或分散的纳米颗粒尺寸组合在不同的溶剂条件下会沉淀。将其与描述不同大小的纳米粒子之间组合频率的简单概率结合起来,可以得出在各种溶剂条件下沉淀和分散的纳米粒子的平均大小和分布。该模型的应用已通过十二烷硫醇稳定的金纳米颗粒的大小选择性分馏(已分散在己烷中并通过添加CO2沉淀)得到了成功证明。

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