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

Jiulong Li,Xu Ji,Chang Li,Zongqiu Li,Di Wu,Bei Zhang,Baohong Hou,Lina Zhou,Chuang Xie,Junbo Gong,Wei Chen

The Journal of Chemical Thermodynamics（2021）

引用 10|浏览5

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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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