Molecular Interactions in Binary Solvent Mixtures and Catechol in Pure, Binary Solvent Mixtures at 293.15. to 313.15 K with DFT Study

Authors(2) :-Ramesh R. Pawar , Chandrakant S. Aher

Density of water, methanol, ethanol,1-propanol and water+methanol, water+ethanol, water +1-propanol binary solvent in pure form were experimentally measured. In these same series of solvent catechol was added to make saturated solutions of catechol in water, methanol, ethanol, 1-propanol and their binary mixtures water+methanol, water+ethanol, water+1-propanol have been experimentally measured for comparative studies at (293.15 to 313.15) K temperatures and experimental density data used to calculate the excess molar volumes (VE), apparant molar volume (VΦ). Redlich−Kister Equation was used to calculate exess molar volumes (VE) to correlate with the experimental excess molar volumes (VE) of binary solvent mixture. Regressed Parameters Ai obtained from Redlich−Kister Equation were used for calculation of Partial Excess Molar Volumes at Infinite Dilution (V?iE,∞). Solvent-solvent and solute-solvent interaction was explain by using Gaussian 09 software, method applied was DFT, B3LYP 6-31(G)d.

Authors and Affiliations

Ramesh R. Pawar
Department of Physical Chemistry, M.S.G. College Malegaon Camp, India
Chandrakant S. Aher
Department of Physical Chemistry, M.S.G. College Malegaon Camp, India

DFT, Hydroquinone, Density, Excess molar volumes(VE),  Apparant molar volume (VΦ).

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Publication Details

Published in : Volume 3 | Issue 6 | September-October 2017
Date of Publication : 2017-10-31
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 432-447
Manuscript Number : IJSRSET1736103
Publisher : Technoscience Academy

Print ISSN : 2395-1990, Online ISSN : 2394-4099

Cite This Article :

Ramesh R. Pawar , Chandrakant S. Aher, " Molecular Interactions in Binary Solvent Mixtures and Catechol in Pure, Binary Solvent Mixtures at 293.15. to 313.15 K with DFT Study, International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 3, Issue 6, pp.432-447, September-October-2017.
Journal URL : http://ijsrset.com/IJSRSET1736103

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