Accurate determination of the phase diagram of model fullerenes

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2003 EDP Sciences
, , Citation E. Schöll-Paschinger and G. Kahl 2003 EPL 63 538 DOI 10.1209/epl/i2003-00556-5

0295-5075/63/4/538

Abstract

It is by now well established that the self-consistent Ornstein-Zernike approximation (SCOZA) is able to provide accurate data for the location of the liquid-vapour coexistence curve and for the critical point of simple fluids. However, up to now applications of the SCOZA were restricted only to a rather small variety of interatomic potentials. In this contribution we present an extension of the SCOZA which offers access to a considerably larger class of systems. As an example, we present results for model fullerenes Cn ⩾ 60 (characterised by the sphericalized Girifalco potentials) and thus contribute to the still open question on the existence of the liquid phase and on the size of the liquid pocket in the phase diagram of fullerenes.

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10.1209/epl/i2003-00556-5