Polymer-water partition coefficients in polymeric passive samplers

Area of Science:

• Environmental Chemistry
• Polymer Science
• Analytical Chemistry

Background:

• Passive samplers are vital for measuring hydrophobic organic compounds in water.
• Accurate polymer-water partition coefficients (D) are essential for reliable measurements.
• Experimental determination of D is costly and time-consuming.

Purpose of the Study:

• To develop a theoretical model for predicting polymer-water partition coefficients.
• To establish a reliable and cost-effective method for evaluating polymeric passive samplers.
• To provide a predictive tool for hydrophobic organic compound analysis in water.

Main Methods:

• Utilized fundamental chemical thermodynamic equations and local equilibrium principles.
• Applied the Flory-Huggins model with Hansen solubility parameters to calculate activity coefficients.
• Developed regression models relating partition coefficients to compound concentrations in polymer and water.

Main Results:

• Established a theoretical model for polymer-water partition coefficients.
• Obtained a regression model: ln(D) = 0.707ln(c1p) - 2.7391 (R² = 0.9744).
• Related polymer-water partition coefficients to concentrations in water and passive samplers.

Conclusions:

• The developed theoretical model accurately predicts polymer-water partition coefficients.
• The model offers a valuable tool for assessing passive sampler performance.
• Factors like water composition and interaction parameters influence partition coefficients, explaining experimental discrepancies.