IJERT-EMS
IJERT-EMS

Computational And Dielectric Studies On Binary Mixtures Of Propan-2-Ol With N-Alkyl P -Hydroxy Benzoates


Computational And Dielectric Studies On Binary Mixtures Of Propan-2-Ol With  N-Alkyl P -Hydroxy Benzoates
Authors : T. Madhu Mohan, T. Vijaya Krishna, Ch. Ravishankar Kumar
Publication Date: 26-09-2012

Authors

Author(s):  T. Madhu Mohan, T. Vijaya Krishna, Ch. Ravishankar Kumar

Published in:   International Journal of Engineering Research & Technology

License:  This work is licensed under a Creative Commons Attribution 4.0 International License.

Website: www.ijert.org

Volume/Issue:   Vol.1 - Issue 7 (September - 2012)

e-ISSN:   2278-0181

Abstract

The dielectric studies on the polar binary mixtures propan-2-ol with n-alkyl p-hydroxy benzoates (n=7 and 9) have been carried out at various mole and volume fractions. LF impedance analyzer, Microwave bench and Abbe”Ēs refractometer are used respectively in radio, microwave (X-Band) and high frequency regions to determine the dielectric data. The experimental data is used to calculate the dielectric constant, dielectric loss, relaxation time, dipolemoment and excess dipolemoment. Hamiltonian quantum mechanical calculations are performed for both pure and equimolar binary systems with optimized converged geometry procedure using PC Spartan modeling software. Dipole moments of the pure and binary mixtures are calculated experimentally from the dielectric data using Higasi”Ēs method and compared with the theoretical results. Conformational analysis of the formation of hydrogen bond between propan-2-ol and n-alkyl p-hydroxy benzoates is supported by the FT-IR spectra.

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