Vapor-Liquid Equilbrium Behavior of Tethered Nanoparticles
List Price: $48.00
Publisher: LAP Lambert Academic Publishing
Binding: Trade Paper
Size: 1.97" wide x 59.84" long x 90.16" tall
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.
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