有机/无机纳米复合粒子平衡型态的热力学计算——粒子型态的转化率依赖性  

Equilibrium morphology calculation of organic/inorganic nano-composite particles controlled by thermodynamics——dependence on monomer conversion

作　　者：蒋波[1] 蔡飞鹏[1] 张晓东[1] 许敏[1] 

机构地区：[1]山东省科学院能源研究所,山东省生物质气化技术重点实验室,山东济南250014

出　　处：《化工学报》2012年第5期1338-1343,共6页CIESC Journal

基　　金：山东省自然科学基金项目(2009ZRFM049)~~

摘　　要：有机/无机纳米复合粒子是一种性能优异的纳米复合材料,基于分裂/融合过程的细乳液聚合是制备此类复合粒子的新型方法。从热力学角度出发,基于界面Gibbs自由能最低原理推导了核壳型、半球型、夹心型和分离型有机/无机纳米复合粒子平衡型态的界面Gibbs自由能方程,考虑了聚合过程中单体转化率对纳米复合粒子热力学平衡型态的影响,扩展了上述方程应用范围。将这些热力学方程用于炭黑/(聚)苯乙烯/水体系中,发现当无机颗粒体积分数小于0.2时,核壳型纳米复合粒子的界面Gibbs自由能最低;随着单体转化率的增加,核壳型、半球型和夹心型复合粒子的界面Gibbs自由能略有下降,这可能是由于聚苯乙烯/水相的界面张力略低于苯乙烯/水相的数值造成的。Organic/inorganic nano-composite particles are excellent composite materials with high performance in many fields.Fission/fusion process of mini-emulsion polymerization is a novel method to produce this kind of composite material.Based on thermodynamics,basic theory,i.e.minimum interface free energy,was used to derive interface Gibbs free energy equations of equilibrium morphology of organic/inorganic nano-composite particles produced by fission/fusion mini-emulsion process.Several equilibrium morphologies of nano-composite particles i.e.core-shell,hemisphere,sandwich and separate morphologies,were considered.The effect of monomer conversion on nano-composite particles equilibrium morphology was investigated,which expanded the application range of these equations.In carbon/（poly）styrene/water system,core-shell particles had lowest Gibbs free energy when volume ratio of inorganic particles was less than 0.2.With increasing monomer conversion,Gibbs free energy of core-shell,hemisphere and sandwich particles decreased slightly,which could be due to smaller interface tension between polystyrene/water than styrene/water in this system.

关 键 词：热力学 复合粒子 型态预测 转化率依赖性 细乳液 

分 类 号：TQ31[化学工程—高聚物工业]