溶液环境对液相纳米颗粒体系分散稳定性的影响  

Influence of solution environment on the dispersion stability of nanoparticle liquid system

作　　者：徐娜 李子璇 刘子璐 吕耀东 张释文 XU Na;LI Zixuan;LIU Zilu;LYU Yaodong;ZHANG Shiwen(Shanxi Key Laboratory of Chemical Product Engineering,College of Chemical Engineering and Technology,Taiyuan University of Technology,Taiyuan 030024,Shanxi,China;College of Chemical Engineering and Technology,Xi’an Jiaotong University,Xi’an 710049,Shaanxi,China;Hangzhou Oxygen Plant Group Co.,Ltd.,Hangzhou 310014,Zhejiang,China;School of Materials Science and Engineering,Taiyuan University of Science and Technology,Taiyuan 030024,Shanxi,China)

机构地区：[1]太原理工大学化学工程与技术学院,化学产品工程山西省重点实验室,山西太原030024 [2]西安交通大学化学工程与技术学院,陕西西安710049 [3]杭氧集团股份有限公司,浙江杭州310014 [4]太原科技大学材料科学与工程学院,山西太原030024

出　　处：《化工学报》2024年第10期3815-3824,共10页CIESC Journal

基　　金：国家自然科学基金项目(21908152)。

摘　　要：分散剂对纳米颗粒的分散效果受溶液环境影响显著。借助粗粒化分子动力学模拟方法,研究了酸碱度、温度及分散剂浓度三个溶液环境因素对含有分散剂的液相纳米颗粒体系分散稳定性的影响。发现分散剂对纳米颗粒的分散性能主要取决于分散剂在纳米颗粒表面的吸附以及分散剂之间的聚集这两个因素,通过两个因素的协同作用实现对纳米颗粒的有效分散。在影响纳米颗粒分散的机制上,分散剂浓度影响吸附于纳米颗粒表面及相互连接形成聚集体的分散剂的相对数量;不同酸碱度会诱导分散剂水解为不同带电性质的改性结构体;温度影响分散剂之间以及分散剂与其他个体之间的连接稳定性。研究可为液相纳米颗粒体系分散稳定性控制提供理论依据。The effect of dispersant on the nanoparticle(NP)dispersion in liquid is significantly affected by solution environment.This article uses coarse-grained molecular dynamics simulation methods to study the effects of three solution environmental factors,including pH,temperature and dispersant concentration,on the dispersion stability of liquid nanoparticle systems containing dispersants.It was found that the dispersion effect of dispersant on NPs mainly depends on two aspects,i.e.,the adsorptions of dispersant molecules on the NP surface and the aggregations between the dispersant molecules.Through the synergistic action of these two aspects,the dispersant can achieve effective dispersion of NPs.In terms of the mechanisms affecting the NPs dispersion,dispersant concentration affects the relative quantity of dispersant molecules adsorbed on the NP surface and connected with each other forming aggregates;different pH induces the dispersant molecules hydrolyze and modify themselves from electroneutral into electriferous structure in different degree;and temperature affects the stability of connections between dispersant molecules,as well as between dispersant molecule and other individuals in liquid.The above results provide theoretical basis for the control on the dispersion stability of NP liquid system.

关 键 词：纳米粒子 分散剂 稳定性 动力学理论 粗粒化分子动力学模拟 

分 类 号：TE08[石油与天然气工程]