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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.49 [2011] >
IJPAP Vol.49(07) [July 2011] >
| 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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