Crossover SAFT Equation of State and Thermodynamic Properties of Propan-1-ol |
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Authors: | S. B. Kiselev J. F. Ely I. M. Abdulagatov J. W. Magee |
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Affiliation: | (1) Chemical Engineering and Petroleum Refining Department, Colorado School of Mines, Golden, Colorado, 80401-1887, U.S.A.;(2) Chemical Engineering and Petroleum Refining Department, Colorado School of Mines, Golden, Colorado, 80401-1887, U.S.A.;(3) Physical and Chemical Properties Division, National Institute of Standards and Technology, Boulder, Colorado, 80303, U.S.A. |
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Abstract: | In this work we have developed a new equation of state (EOS) for propan-1-ol on the basis of the crossover modification (CR) of the statistical-associating-fluid-theory (SAFT) EOS recently developed and applied to n-alkanes. The CR SAFT EOS reproduces the nonanalytical scaling laws in the asymptotic critical region and reduces to the analytical-classical SAFT EOS far away from the critical point. Unlike the previous crossover EOS, the new CR SAFT EOS is based on the parametric sine model for the universal crossover function and is able to represent analytically connected van der Waals loops in the metastable fluid region. The CR SAFT EOS contains 10 system-dependent parameters and allows an accurate representation of the thermodynamic properties of propan-1-ol over a wide range thermodynamic states including the asymptotic singular behavior in the nearest vicinity of the critical point. The EOS was tested against experimental isochoric and isobaric specific heats, speed of sound, PVT, and VLE data in and beyond the critical region. In the one-phase region, the CR SAFT equation represents the experimental values of pressure with an average absolute deviation (AAD) of less than 1% in the critical and supercritical regions and the liquid densities with an AAD of about 1%. A corresponding states principle is used for the extension of the new CR SAFT EOS for propan-1-ol to higher n-alkanols. |
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Keywords: | associating fluids, critical state crossover theory equation of state enthalpies heat capacities n-alkanols thermodynamic properties speed of sound vapor– liquid equilibrium |
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