SOLUBILITY, MOLECULAR INTERACTIONS THROUGH DFT STUDY OF MALONIC ACID IN WATER, 1-PROPANOL AND THEIR BINARY MIXTURES AT 293.15-313.15K TEMPERATURE
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Abstract
The measurement of solubilities of malonic acid in pure water, 1-propanol and water + 1-propanol binary solvent
mixtures were carried out over the entire composition range between 0 to 1 weight fraction of 1-propanol at (293.15,
295.15, 298.15, 300.15, 303.15, 305.15, 308.15, and 313.15) K. The experimental solubility data were correlated by
using Apelblat, van’t Hoff equation and CNIBS/R-K model. These equations provide better correlation in these
measurements. DFT was carried out to correlate solubility in various solvents system. Thermodynamic parameters
( , %ζH, %ζTS) of solution were calculated using van’t Hoff equation.
Keywords: Solubility, Malonic acid, Apelblat equation, DFT.
mixtures were carried out over the entire composition range between 0 to 1 weight fraction of 1-propanol at (293.15,
295.15, 298.15, 300.15, 303.15, 305.15, 308.15, and 313.15) K. The experimental solubility data were correlated by
using Apelblat, van’t Hoff equation and CNIBS/R-K model. These equations provide better correlation in these
measurements. DFT was carried out to correlate solubility in various solvents system. Thermodynamic parameters
( , %ζH, %ζTS) of solution were calculated using van’t Hoff equation.
Keywords: Solubility, Malonic acid, Apelblat equation, DFT.
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How to Cite
Nahire, S. (2021). SOLUBILITY, MOLECULAR INTERACTIONS THROUGH DFT STUDY OF MALONIC ACID IN WATER, 1-PROPANOL AND THEIR BINARY MIXTURES AT 293.15-313.15K TEMPERATURE. Journal of Advanced Scientific Research, 12(02 Suppl 1), 235-244. https://doi.org/10.55218/JASR.s12021122sup132
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Research Article
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