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Boltzmann equation for the modelling of formation of silver nanoparticles using trisodium citrate as the reducing agent
Bulletin of Materials Science ( IF 1.9 ) Pub Date : 2021-09-08 , DOI: 10.1007/s12034-021-02542-y
Jadhav Pankaj Nagnath 1 , Delphy Davis 1 , P Ovia 1 , SamDavid Swaminathan 1 , Kannan Deepa 1
Affiliation  

The kinetics of formation of silver nanoparticles using trisodium citrate as the reducing agent was studied in order to evaluate the rate constants and the rate expression. The inability to measure the concentration of the reactant (precursor silver salt) at millimolar concentrations using conventional spectrophotometric techniques renders the studies of kinetics cumbersome. An attempt was made to study the kinetics of this reaction by measuring the concentration of silver nanoparticles instead of the silver ions as a function of time. The initial concentration of the reducing agent (trisodium citrate) was taken to be nearly 20 times that of the initial concentration of the silver ions. Hence, the reaction could be modelled as pseudo-first-order kinetics, considering the bimolecular nature of the reaction. The final second-order rate constant was evaluated using integral method of analysis as 0.254 l (g min)–1. The key steps in the formation of silver nanoparticles (i.e., reduction, nucleation, growth and saturation) were modelled as a sigmoidal plot using Boltzmann equation. A very good fit of experimental data (R2 ≈ 0.99) was observed with the model.



中文翻译:

使用柠檬酸三钠作为还原剂模拟银纳米颗粒形成的玻尔兹曼方程

研究了使用柠檬酸三钠作为还原剂的银纳米粒子的形成动力学,以评估速率常数和速率表达式。无法使用传统的分光光度技术测量毫摩尔浓度的反应物(前体银盐)的浓度,使得动力学研究变得繁琐。通过测量作为时间函数的银纳米颗粒而不是银离子的浓度来尝试研究该反应的动力学。还原剂(柠檬酸三钠)的初始浓度接近银离子初始浓度的 20 倍。因此,考虑到反应的双分子性质,该反应可以建模为准一级动力学。–1 . 使用玻尔兹曼方程将银纳米粒子形成的关键步骤(即还原、成核、生长和饱和)建模为 sigmoidal 图。使用该模型观察到实验数据的非常好的拟合 ( R 2 ≈ 0.99)。

更新日期:2021-09-09
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