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IJC-A Vol.51A(05) [May 2012] >

Title: A global model to predict density of non-aqueous binary solvent mixtures at various temperatures
Authors: Jouyban, Abolghasem
Maljaei, Seyed Hamed
Khoubnasabjafari, Maryam
Fathi-Azarbayjani, Anahita
Keywords: Theoretical chemistry
Jouyban-Acree model
Binary solvent mixtures
Abraham solute parameters
Issue Date: May-2012
Publisher: NISCAIR-CSIR, India
Abstract: The combined form of the Jouyban-Acree model and the calculated Abraham solute parameters has been used to predict the density of binary solvent mixtures at various temperatures. The proposed model has been trained using 290 binary solvent systems at different temperatures (278.15 to 353.15 K) and concentration ranges. The results are discussed in terms of mean relative deviations (MRDs) between computed and experimental densities as an accuracy criterion. The MRD of the proposed model is 1.2 ± 1.9 %, indicating that the proposed model, together with the calculated Abraham parameters, is accureate to reproduce the concentration and temperature dependence of density values of binary solvent mixtures.
Page(s): 695-698
CC License:  CC Attribution-Noncommercial-No Derivative Works 2.5 India
ISSN: 0975-0975(Online); 0376-4710(Print)
Source:IJC-A Vol.51A(05) [May 2012]

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