Vapor-Liquid Equilbrium Behavior of Tethered Nanoparticles
Цена 48.00 - 52.51 USD
EAN/UPC/ISBN Code
9783659396212
Автор
Siladitya Mukherjee
Издатель
LAP Lambert Academic Publishing
Страниц
76
Год выпуска
2013
In this work, molecular simulations are used to calculate the vapor-liquid equilibrium (VLE) of polymer-grafted nanoparticles under a wide range of conditions. Brownian dynamics simulations are performed using coarse-grained model, generic enough to be applicable to a wide range of systems. The VLE is calculated using the quench molecular dynamics technique. This work demonstrates a strong connection between the VLE and the grafting architecture. The role of graft topology for systems with low surface coverage is also presented in this work.