Foster Jeffrey C, Akar Irem, Grocott Marcus C, Pearce Amanda K, Mathers Robert T, O'Reilly Rachel K
School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, United Kingdom.
Department of Chemistry, Pennsylvania State University, New Kensington, Pennsylvania 15068, United States.
ACS Macro Lett. 2020 Nov 17;9(11):1700-1707. doi: 10.1021/acsmacrolett.0c00645. Epub 2020 Nov 4.
The seemingly simple notion of the hydrophobic effect can be viewed from multiple angles involving theory, simulation, and experiments. This viewpoint examines five attributes of predictive models to enhance synthetic efforts as well as experimental methods to quantify hydrophobicity. In addition, we compare existing predictive models against experimental data for polymer surface tension, lower critical solution temperature, solution self-assembly morphology, and degradation behavior. Key conclusions suggest that both the Hildebrand solubility parameters (HSPs) and surface area-normalized Log (Log SA) values provide unique and complementary insights into polymer phenomena. In particular, HSPs appear to better describe bulk polymer phenomena for thermoplastics such as surface tension, while Log SA values are well-suited for describing and predicting the behavior of polymers in solution.
疏水效应这个看似简单的概念可以从涉及理论、模拟和实验的多个角度来审视。该观点考察了预测模型的五个属性，以加强合成工作以及量化疏水性的实验方法。此外，我们将现有的预测模型与聚合物表面张力、低临界溶液温度、溶液自组装形态和降解行为的实验数据进行了比较。关键结论表明，希尔德布兰德溶解度参数（HSPs）和表面积归一化的Log （Log SA）值都为聚合物现象提供了独特且互补的见解。特别是，HSPs似乎能更好地描述热塑性塑料等本体聚合物现象，如表面张力，而Log SA值则非常适合描述和预测聚合物在溶液中的行为。
