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Effects of Correlated Rotation of Linear Molecules in the Low‐Temperature Dynamics and Thermodynamics of Weak Molecular Solutions
Author(s) -
Kokshenev V. B.,
Zholonko N. N.
Publication year - 1989
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.2221560112
Subject(s) - thermodynamics , intermolecular force , chemistry , molecule , hamiltonian (control theory) , quadrupole , molecular rotation , molecular dynamics , thermal , phonon , physics , computational chemistry , atomic physics , condensed matter physics , mathematical optimization , mathematics , organic chemistry
The paper proposes a pseudospin approach to describe low‐temperature dynamics and thermodynamics of weak molecular solutions of linear molecules in atomic cryomatrices. On the basis of a microscopic Hamiltonian, a direct analogue of a weak ortho‐parahydrogen solution, the characteristics energies of various types of intermolecular interactions are estimated, i.e. the direct quadrupole‐quadrupole one and the indirect ones, dynamic and static, which involve phonons. The thermodynamic characteristics (specific heat, thermal expansion, and the Grüneisen parameter) of the rotational subsystem of the 14 N 2 ‐Ar solution are calculated with consideration of longrange correlations in the molecule rotation. A comparison with experimental data on the specific heat of 14 N 2 ‐Ar is made.