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Modeling Bisolute Adsorption of Aromatic Compounds Based on Adsorbed Solution Theories
1Department of Civil and Environmental Engineering, Temple University , Philadelphia, Pennsylvania 19122, United States.
Environmental Science & Technology
|April 25, 2017
Summary
Real Adsorbed Solution Theory (RAST) accurately models bisolute organic contaminant adsorption onto polystyrene resins. This study introduces improved RAST models for wastewater treatment design, enhancing contaminant removal predictions.
Area of Science:
- Environmental Chemistry
- Adsorption Science
- Chemical Engineering
Background:
- Industrial and municipal wastewaters contain numerous organic contaminants.
- Accurate multicomponent adsorption equilibrium models are crucial for designing effective removal systems.
Purpose of the Study:
- To evaluate the performance of Ideal Adsorbed Solution Theory (IAST) and its derivatives (SIAST, RAST) for bisolute organic compound adsorption.
- To develop improved models for predicting multicomponent adsorption equilibrium.
Main Methods:
- Experimental bisolute adsorption isotherms were measured using a hyper-cross-linked polystyrene resin (MN200).
- IAST, SIAST, and RAST models were applied to fit the experimental data.
- A novel empirical four-parameter equation was developed to improve RAST's accuracy.
- Linear free energy relationships were established for predicting adsorbed phase activity coefficients (γᵢ).
Main Results:
- RAST demonstrated superior accuracy in fitting bisolute adsorption isotherms compared to IAST and SIAST.
- The novel four-parameter equation provided a better fit for adsorbed phase activity coefficients than standard models (Wilson, NRTL).
- Developed linear free energy relationships effectively predicted γᵢ for solutes in the presence of major contaminants.
Conclusions:
- RAST, especially with the new empirical equation, is a highly accurate model for bisolute adsorption on polystyrene resins.
- The developed linear free energy relationships offer a promising method for predicting multicomponent adsorption behavior using molecular descriptors.
- This research represents a significant advancement in accurately modeling multisolute adsorption equilibrium for wastewater treatment applications.
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