Daoulas Kostas Ch, Müller Marcus, de Pablo Juan J, Nealey Paul F, Smith Grant D
Institut für Theoretische Physik, Georg-August Universität, Friedrich-Hund-Platz 1, 37077, Göttingen, Germany.
Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706-1691, USA.
Soft Matter. 2006 Jun 20;2(7):573-583. doi: 10.1039/b602610a.
Recent work exploring phase separation and self-assembly in multicomponent polymer fluids using a particle-based self-consistent field simulation method is reviewed. The computational method is placed in the context of classical molecular dynamics and Monte Carlo simulations as well as field-theoretic approaches. Its potential is illustrated by applications ranging from spinodal decomposition in symmetric polymer blends and the ordering of diblock copolymers in the bulk to more complex phenomena such as solvent evaporation from thin polymer films and the fabrication of three-dimensional bicontinuous diblock copolymer morphologies reconstruction on patterned substrates.
本文综述了近期利用基于粒子的自洽场模拟方法对多组分聚合物流体中的相分离和自组装进行的研究工作。该计算方法是在经典分子动力学、蒙特卡罗模拟以及场论方法的背景下提出的。通过一系列应用展示了其潜力，这些应用涵盖了从对称聚合物共混物中的旋节线分解、本体中双嵌段共聚物的有序化，到更复杂的现象，如聚合物薄膜中的溶剂蒸发以及在图案化衬底上三维双连续双嵌段共聚物形态的重构。
