The development of low-cost adsorbent coal FA (Kosovo A) for pesticide removal is an important area of scientific research. With this study, we show the potential of adsorption of coal FA (Kosovo A) for the removal of benalaxyl and atrazine from water. We have found that the amount of adsorbed benalaxyl and atrazine increases with an increasing amount of coal FA (Kosovo A) in solution. The maximum capacity coal FA (Kosovo A) to adsorb benalaxyl and atrazine was found to be 0.46 and 0.45 mg/g according to the Freundlich equation and 3.48 and 3.33 mg/g according to the Langmuir equation. The Freundlich adsorption equation better explains the adsorption results of pesticides (benalaxyl and atrazine) in coal FA (Kosovo A), as the values of the recovery coefficient (R2) were higher in Freundlich equation than the Langmuir equation. The adsorption isotherms were of type L and show that the adsorption efficiency of the coal FA (Kosovo A) depends on the initial concentration of benalaxyl and atrazine in solution and the maximum removal of benalaxyl and atrazine was achieved at concentrations less than 10 µg/ml. This study’s results are expected to have implications for the use of coal FA (Kosovo A) for the removal of pesticides from water.

The aim of this research was to study the adsorption progress of Benalaxyl from natural and activated clays of Brari and Dardha, so that these clays can be used for practical purposes fof soil and water purification. The natural clay materials originated from the regions of Brari (Tirana) 41 ° 21′14.49 ″ N; 19 ° 50′17.74.E and Dardha (Korça) 40 ° 31′16.59 ″ N; 20 ° 49′33.69 ″ E. SEM images of Dardha clay show a finer dispersity than Brari clay. Powder XRD analysis of reveal remarkable differences in their composition. Dardha clay shows a higher content of SiO2, Al2O3 and CaO than Brari clay. The adsorption dependence of Benalaxyl on Brari and Dardha clays was studied at t = 20ºC and contact time: 12h; 24h; 48h; 72h, considering Benalaxyl concentrations of 0.1 g/l and 0.3 g/l. Based on the time of contact clay-aqueous solution of benalaxyl, 48h to 72h showed significant adsorption of Benalaxyl onto clays, therefore this time interval is presented and oriented further studies in this time interval. Time intervals longer than 72h showed no interest because the rate of hydrolysis increased. Most of Benalaxyl is desorbed from both clays within the first 2 hours. Dardha clay desorbs better than Brari clay.

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The purpose of this study is to compare the theoretical results which are calculated according to the DFT model, DFT calculations were performed using the code DMol3. To optimize the geometry, the triple numerical set plus the polarization base (TNP) was used. It was also used in combination with the M11L function within the generalized meta gradient (GGA) approximation. The solvent effect (H2O) was incorporated through the conductor-like display model (COSMO). To visualize the adsorption geometry of the two selected adsorbents, namely: benalaxyl and atrazine on the surface of the clay material components, Monte Carlo (MC) simulation was performed, which was performed through the Adsorption Locator module as implemented in the Materials Studio software. 2017. Three types of clay minerals were selected for the simulation:

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