Thermodynamik von Fullerenen aus statistisch mechanischen Rechnungen

In this work phase equillibrium calculations between solid, liquid and gaseous phases of higly symmetrical many center molecules and fullerenes are presented. The calculations are performed on a theoretical model basis: For the liquid and gaseous side virial-expansion and pertubation theory are applied, the solid phase is treated with the Lennard-Jones-Devonshire theory. The potentials that are used are the Lennard-Jones-12/6 site-site interaction potentials for the many center molecules and the Girifalco potential for the fullerenes. The results show the existence of a liquid phase for C60, the so called Buckminsterfullerene.

Grantor dc:publisher

Publikationsserver der RWTH Aachen University

Year dc:date

2000

Author dc:creator

• Breitenstein, Tobias

Contributors dc:contributor

• Lustig, Rolf-Ulrich

• info:eu-repo/classification/ddc/530
• Physik
• Fullerene
• Phasendiagramm
• Berechnung
• Phasengleichgewicht

Statement dc:rights

• info:eu-repo/semantics/openAccess

Language dc:language

ger

Identifier

https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118487%22

OAI record oai:identifier

https://publications.rwth-aachen.de/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Apublications.rwth-aachen.de%3A56379