Laurens Julien, Jolly Julien, Ovarlez Guillaume, Fay Hélène, Chaussée Thomas, Sotta Paul
LOF, University of Bordeaux, CNRS, Solvay, UMR 5258, 33608 Pessac, France.
Solvay Silica, 15 rue Pierre Pays, 69660 Collonges au Mont dOr, France.
Langmuir. 2020 Jul 7;36(26):7669-7680. doi: 10.1021/acs.langmuir.0c01312. Epub 2020 Jun 18.
In polymer nanocomposites, particle-polymer interactions play a key role both in the processing and in the final properties of the obtained materials. Specifically, for silica, because of the surface polarity, surface modification is commonly used to improve the compatibility with apolar polymer matrices in order to prevent agglomeration. In this work, a new way to investigate the polymer-silica affinity and determine dispersibility parameters (HDP) of silica particles in the 3D Hansen space using a solvent approach is proposed. These parameters are estimated from the assessment of the stability of suspensions in a set of organic solvents. Based on the respective locations of the solvent, polymer, and silica representative points in the 3D Hansen space, the adsorption of a given polymer in solution in a given solvent can be predicted. This is shown with the industrial precipitated silica Zeosil 1165MP in combination with polystyrene and polybutadiene. It is shown that silanization of the silica particles decreases the adsorption of polystyrene, even though because of this surface treatment, silica comes closer to polystyrene in the Hansen space. This counter-intuitive effect is rationalized based on the consideration of an adsorption parameter χ computed from the relative locations of the solvent, polymer, and particles in the 3D Hansen space. Basically, this parameter is related to the respective distances of the solvent and polymer representative points to that of the particle in the Hansen space.
在聚合物纳米复合材料中，粒子与聚合物之间的相互作用在材料的加工过程及最终性能方面均起着关键作用。具体而言，对于二氧化硅，由于其表面极性，通常采用表面改性来提高与非极性聚合物基体的相容性，以防止团聚。在这项工作中，提出了一种新方法，即使用溶剂法在三维汉森空间中研究聚合物与二氧化硅的亲和力并确定二氧化硅颗粒的分散性参数（HDP）。这些参数是通过评估一组有机溶剂中悬浮液的稳定性来估算的。基于溶剂、聚合物和二氧化硅代表点在三维汉森空间中的各自位置，可以预测给定聚合物在给定溶剂中的溶液吸附情况。以工业沉淀二氧化硅Zeosil 1165MP与聚苯乙烯和聚丁二烯的组合为例进行了说明。结果表明，二氧化硅颗粒的硅烷化降低了聚苯乙烯的吸附，尽管由于这种表面处理，二氧化硅在汉森空间中更接近聚苯乙烯。基于对由溶剂、聚合物和颗粒在三维汉森空间中的相对位置计算得出的吸附参数χ的考虑，对这种违反直觉的效应进行了合理的解释。基本上，该参数与溶剂和聚合物代表点在汉森空间中相对于颗粒代表点的各自距离有关。
