Acetic acid vapor: 1. Statistical/quantum mechanical models of the ideal vapor.
Two statistical mechanical/quantum computational models are developed for the ideal acetic acid vapor. One describes the equilibrium of the cis-monomer and the ring dimer and the other the equilibrium of a mixture of oligomers. Ten quantum computational models of the acetic acid ring dimer have been compared in developing these models. The end product of this work is a critical tool for assessing experimental vapor density studies of acetic acid reported in the literature.
Lofgren
Sarah M
SM
Division of Science and Mathematics, University of Minnesota, Morris, 600 East 4th Street, Morris, Minnesota, 56267, USA.
Mahling
Paul R
PR
Togeas
James B
JB