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Thermoelectric Properties of Fe0.2Co3.8Sb12-xTex ... - Physics

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Violation <strong>of</strong> Guggenheim Adsorption Rule at Wall-Liquid Interface in Binary<br />

Lennard-Jones Mixture<br />

Shibu Saw 1 , Syed Mohammed Kamil 1 , and Chandan Dasgupta 1,2<br />

1 Centre for Condensed Matter Theory, Department <strong>of</strong> <strong>Physics</strong>,<br />

Indian Institute <strong>of</strong> Science, Bangalore 560012, India<br />

2 Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560 064, India<br />

Guggenheim Adsorption rule states that the majority/minority component enrich the interface<br />

for negative/positive mixing energy <strong>of</strong> a binary mixture, if surface tension doesn’t play an important<br />

role. We perform molecular dynamics simulation <strong>of</strong> Binary Lennard-Jones liquid mixtures at the<br />

interface created by a non-preferential wall. We show that the Guggenheim Adsorption rule is obeyed<br />

for the negative mixing energy and violated for positive mixing energy at such interface which is<br />

validated by Density-Functional-Theory using Ramakrishnan-Yussouff functional. We argue that<br />

such violation is due to the dominance <strong>of</strong> the entropy <strong>of</strong> the liquid mixture.

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