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Correlation of equation of state parameters for the associated perturbed anisotropic chain theory

Authors
Journal
Fluid Phase Equilibria
0378-3812
Publisher
Elsevier
Publication Date
Volume
43
Identifiers
DOI: 10.1016/0378-3812(88)87001-8

Abstract

Abstract The Associated Perturbed Anisotropic Chain Theory (APACT) has been applied to four types of pure fluids: non-polar (hydrocarbons), dipolar (chloroalkanes), quadrupolar (aromatics and substituted aromatics), and hydrogen bonding fluids (water and aliphatic alcohols). Molecular parameters for each fluid have been evaluated by fitting the theory to pure-component vapor pressures and liquid densities using a non-linear regression routine. Correlation of the paparameters with Bondi's volumes showed nearly linear behavior. Moreover, the slopes and intercepts of the correlations show expected trends. For the appphatic alcohols, the enthalpy of hydrogen bond formation was found to be independent of hydrocarbon chain length for carbon numbers higher than 2, while the entropy of hydrogen bond formation decreased asymptotically to a constant value.

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