Artificial intelligence application in adsorption of uremic toxins: Towards the eco-friendly design of highly efficient with potential applications as hemodialysis membranes.

Six Functionalized Activated Carbon Cloths (FACCs) were designed to obtain fundamental information for training a Bayesian Regularized Artificial Neural Network (BRANN) capable of predicting adsorption capacity of the FACCs to synthesize tailor-made materials with potential application as dialysis membranes. Characterization studies showed that FACCs have a high surface area (1354-2073 m2 g-1) associated with increased microporosity (W0, average: 0.57 cm3 g-1). Materials are carbonaceous, with a carbon content between 69 and 92%. Chemical treatments modify the pHpzc of materials between 4.1 and 7.8 due to incorporating functional groups on the surface (C=O, -COOH, -OH, -NH, -NH2). Uremic toxins tests showed a high elimination rate of p-cresol (73 mg g-1) and creatinine (90 mg g-1) which is not affected by the matrix (aqueous solution and simulated serum). However, in the case of uric acid, adsorption capacity decreased from 143 mg g-1 to 71 mg g-1, respectively. When comparing the kinetic constants of the adsorption studies in simulated serum versus the studies in aqueous solution, it can be seen that this does not undergo significant changes (0.02 min-1), evidencing the versatility of the material to work in different matrices. The previous studies, in combination with characterization of the materials, allowed to establish the adsorption mechanism. Thus, it permitted to train the BRANN to obtain mathematical models capable to predict the kinetic adsorption of the toxins studied. It is concluded that the predominant adsorption mechanism is due to π-π interactions between the adsorbate unsaturations with the material's pseudo-graphitic planes. Results show that FACCs are promising materials for hemodialysis membranes. Finally, taking into consideration the adsorption capacities and rates, as well as the semiquantitative analysis of the environmental impact associated with the preparation of the adsorbents, the best adsorbent (CC, Eco-Scale = 91.5) was selected. The studies presented show that the material is eco-friendly and highly efficient in the elimination of uremic toxins.

Temperature dependence of herbicide adsorption from aqueous solutions on activated carbon fiber and cloth.

Diuron and amitrole adsorption from aqueous solution on an activated carbon fiber and an activated carbon cloth were studied as a function of temperature. Diuron adsorption was greater than that of amitrole and increased with rising temperature, whereas amitrole adsorption decreased when the temperature increased. Endothermicity of diuron adsorption was due to an increase in the planarity and diffusion of diuron molecules with higher temperatures. However, the exothermicity found for amitrole was due to the increase in amitrole solubility and in vibrational energy of adsorbed molecules with higher temperature. External mass transfer resistance was also found to play an important role in diuron adsorption on activated carbon cloth.

A study of the static and dynamic adsorption of Zn(II) ions on carbon materials from aqueous solutions.

The effect of surface oxidation, solution pH, and ionic strength on the adsorption of Zn(II) ions from aqueous solution under static conditions was studied using commercial activated carbons in the form of grains and cloth. In addition, the effects of surface oxidation and the presence of dissolved natural organic matter (tannic acid) were studied under dynamic conditions using activated carbon cloth column beds. Under static conditions, surface oxidation largely increased Zn2+ uptake and two H+ ions were displaced from the oxidized carbon surface per Zn(II) ion adsorbed. It is proposed that adsorption of Zn(II) on the as-received basic carbons was due to C(pi)-cation interactions. An increase in solution pH in the range 3-6 increased Zn(II) uptake, whereas an increase in ionic strength decreased Zn(II) uptake because of the screening effect of the added salt. In the experiments carried out with carbon column beds, the oxidized activated carbon cloth was also more effective than the as-received carbon to remove Zn(II) ions. In this case, the presence of tannic acid decreased the efficiency of the oxidized activated carbon cloth bed to remove Zn(II) ions. An increase in the tannic acid initial concentration had a greater effect on the removal of tannic acid than on the removal of Zn(II) by the column bed. This may be a consequence of the greater size of tannic acid molecules and their low affinity for oxidized carbon surfaces.