Solubility measurement and thermodynamic correlation of (2,4-dichlorophenoxy)acetic acid in fifteen pure solvents

The Journal of Chemical Thermodynamics(2021)

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摘要
•Solubility of 2,4-D in fifteen pure solvents was determined.•Four thermodynamic models were used to correlate the solubility data.•Thermodynamic properties of 2,4-D were evaluated by NRTL model.•KAT-LSER model was used to investigate the solvent effect.•Solvation free energy analysis was performed by molecular dynamics.
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关键词
2,4-D,Solubility,Thermodynamic properties,KAT-LSER model,Molecular dynamic simulation
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