In this paper, a new green pH-sensitive cellulose based hydrogel (swelling rate ~ 1005 %) was successfully elaborated. However, the new EDTA crosslinked HEC was investigated as adsorbent materiel, which it showed high removal efficiency (~2000 mg.g-1) to aquatic micropollutants, especially methylene blue as cationic dyes model. The synthesis of HEC-EDTA at high advanced crosslinking degree (up to 92 %) that confirmed using structural analyzes (FTIR and 13C CP/MAS-NMR), was cried out using DAEDT and DMAP as acyl transfer agent, where the lamellar morphology (2D- microstructure) was highly suggested basing on the average functionality of the reaction system. The kinetic study showed that the adsorption process was better described by pseudo-second-order kinetic, where the thermodynamic parameters exhibited a negative effect of temperature indicating a physical adsorption process. In addition, the adsorption capacity was studied according to the experimental conditions (pH, contact time, concentration, etc.), and the Freundlich model revealed a strong correlation to the experimental results indicating an energetic heterogeneity of the surface active sites. In the other hand, molecular dynamics (MD) simulations were conducted and optimized using COMPASS II, where the results showed a good agreement with the experiment, and that basing on the intermolecular Non-covalent interaction, molecular structure and cluster configurations.
In this paper, the “Dispersive Coacervation (D-Coac)” was investigated as new process to elaborate new Rosemary Essential Oil (REO) dispersion-loaded biodegradable plastic coacervates. The active principle (REO) is coated using D-Coac as a model process for designing vector systems and drug delivery matrix. The REO (~ 54%w) was wrapped in Benzyl cellulose acrylate (BCac, DSBnz~1.4 and DSAcr~0.4) coacervates, which is prepared in the dispersing aqueous phase. During the reaction, the dispersive forces "generated by the grafting reaction" disturb the hydrophilic character of the water-soluble cellulose acrylate (Cac0.4). At this stage, the hydrophobic behavior, acquired by the grafted benzylic entities, increases the BCac-affinity to the organic compounds (oily dispersed phase). Therefore, the migration of the resulting polymer chains to the EO-rich (discontinuous) micellar dispersed phase is strongly suggested. As a result, the BCac0.4 chains form "Pickering" type membranes at the biphasic micellar interface, and therefore encapsulating the AP. Experimental investigations, such as the relationship between the degree of substitution (DS) and the demixing behavior of the polymer solutions, were in good agreement with the theoretical interpretations that based on the Flory-Huggins thermodynamic theory. In addition, the results showed a high DS effect on the physicochemical properties, especially the molar Gibbs free energy of mixing.
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