Vapor-Liquid Equilbrium Behavior of Tethered Nanoparticles - Mukherjee, Siladitya
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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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Produktbeschreibung
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.
Autorenporträt
Siladitya Mukherjee was born on November 22, 1984 at Kolkata, India. He received his Bachelor of Chemical Engineering degree from Jadavpur University, India in July 2007. He worked as a Process Engineer in India from Aug 2007 to June 2010. In May 2013, he completed his Master of Science in Chemical Engineering at the Vanderbilt University, USA.