Acetic acid vapor: 1. Statistical/quantum mechanical models of the ideal vapor |
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Authors: | Lofgren Sarah M Mahling Paul R Togeas James B |
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Institution: | Division of Science and Mathematics, University of Minnesota, Morris, 600 East 4th Street, Morris, Minnesota, 56267, USA. |
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Abstract: | 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. |
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