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Vapor-Liquid Equilbrium Behavior of Tethered Nanoparticles

ISBN-10: 3659396214
ISBN-13: 9783659396212
Edition: 0
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Description: 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  More...

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Book details

Copyright year: 0
Publisher: LAP Lambert Academic Publishing
Publication date: 6/19/2013
Binding: Paperback
Pages: 76
Size: 1.97" wide x 59.84" long x 90.16" tall
Weight: 268.4
Language: English

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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