A statistical physics-based physicochemical study of L-phenylalanine adsorption on activated carbon
Salah Knani1, Sarra Wjihi2, Mohamed Bouzid3
1Department of Physics, College of Science, Northern Border University, Arar, Saudi Arabia. saleh.kenani@nbu.edu.sa.
Journal of Molecular Modeling
|September 16, 2024
Summary
This study reveals that activated carbon material (ACK) is more effective than ACZ for adsorbing L-phenylalanine (L-Phe). A statistical physics model confirmed a multilayer adsorption mechanism, with physical bonds forming between L-Phe and activated carbon surfaces.
Area of Science:
- Materials Science
- Physical Chemistry
- Surface Science
Background:
- Investigated the adsorption of L-phenylalanine (L-Phe) on modified activated carbons (ACK and ACZ).
- Explored steric and energetic characteristics of adsorption at temperatures ranging from 293 to 313 K.
- Utilized an advanced statistical physics multilayer model for adsorption interpretation.
Purpose of the Study:
- To develop and apply a statistical physics model to understand L-phenylalanine adsorption on activated carbons.
- To compare the adsorption efficiency of two modified activated carbons, ACK and ACZ.
- To elucidate the influence of surface activation on adsorption mechanisms and capacity.
Main Methods:
- Applied statistical physics formalism to model L-phenylalanine adsorption capacity.
- Employed molecular docking to analyze interactions between L-Phe and activated carbons.
- Interpreted pore size distribution using Kelvin theory on adsorption isotherms.
Main Results:
- A multimolecular adsorption mechanism was identified, forming 2-3 layers of L-Phe on both ACK and ACZ.
- ACK demonstrated higher adsorption capacity (Qasat) than ACZ.
- Adsorption capacity decreased with increasing temperature, indicating an exothermic process.
- Physical bonds were confirmed between L-Phe molecules and activated carbon surfaces, as well as among L-Phe molecules.
Conclusions:
- ACK is a more efficient adsorbent for L-phenylalanine compared to ACZ.
- The adsorption process is exothermic and involves multilayer formation with physical interactions.
- Molecular docking results align with calculated binding affinities, validating the adsorption models.
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