Investigation of the Alcohols and Water Hydrogen Bonding Structure via Monomer Fraction Studies
Evangelos Tsochantaris,
Xiaodong Liang,
Georgios M. Kontogeorgis
Abstract:The hydrogen bonding structure of alcohols and water is studied in this work using two association equations of state (cubic-plusassociation (CPA); perturbed-chain statistical associating fluid theory (PC-SAFT)) and a theory connecting the relative static permittivity (RSP) with hydrogen bonding (RSP theory). The results from the two models are compared to experimental and molecular simulation data for free-site, monomer, and k-times bonded fractions, as well as for tetrahedrally bonded fractions for water. Th… Show more
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