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Title: Prediction of density for normal alcohols based on statistical-thermodynamics perturbation theory
Authors: Zabeti, Ali Reza
Haghighi, Behzad
Papari, Mohammad Mehdi
Keywords: Density
Statistical thermodynamic perturbation theory
Equation of state
Pair interaction potential
Issue Date: Jul-2011
Publisher: NISCAIR-CSIR, India
Abstract: An analytical equation of state (EoS) proposed by Ihm-Song-Mason (ISM) [J Chem Phys, 94 (1991) 3839] has been employed to calculate the density of normal alcohols from methanol to heptanol. The best available values of the Lennard-Jones LJ (12,6) parameters have been taken to evaluate the second virial coefficient for each compounds required by the EoS. The second virial coefficient is not very sensitive to the feature of the intermolecular potential. The remaining parameters in the EoS depend only on the repulsive part of the potential. Consequently, they are insensitive to the details of the interaction potential. The calculated second virial coefficients in conjunction to the other temperature-dependent parameters of the EoS have been employed to predict the density of alcohols (C1-C7). A comparison between the experimental values of density and the calculated values from ISM EoS has been made. Agreement with experiment is very good for all of the compounds.
Page(s): 460-466
CC License:  CC Attribution-Noncommercial-No Derivative Works 2.5 India
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Source:IJPAP Vol.49(07) [July 2011]

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