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Extending Wertheim's perturbation theory to high‐density molecular solids
Author(s) -
Singh V. K.,
Khanna K. N.
Publication year - 2004
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200302027
Subject(s) - homonuclear molecule , dumbbell , phase transition , anisotropy , equation of state , perturbation (astronomy) , perturbation theory (quantum mechanics) , solid state , physics , thermodynamics , chemistry , quantum mechanics , molecule , medicine , physical therapy
We report a theoretical study of a two‐dimensional hard homonuclear dumbbell‐shaped molecular system with a high anisotropy parameter d * = 0.924 employing Wertheim's first‐order perturbation theory. The thermodynamic state of the molecular solid known as HB‐crystalline phase is discussed. The equation of state, free energy and fluid‐solid phase transition are reported. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)