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Original articles

Experimental and computational chemistry studies on the removal of methylene blue and malachite green dyes from aqueous solution by neem (Azadirachta indica) leaves

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Pages 255-265 | Received 29 Nov 2017, Accepted 06 Apr 2018, Published online: 30 Apr 2018

Figures & data

Figure 1. Optimized structure of (a) methyl blue and (b) malachite green.

Figure 1. Optimized structure of (a) methyl blue and (b) malachite green.

Figure 2. Variation of equilibrium concentration of dye adsorbed with dye concentration.

Figure 2. Variation of equilibrium concentration of dye adsorbed with dye concentration.

Figure 3. Variation of equilibrium concentration of dye adsorbed with biomass dose.

Figure 3. Variation of equilibrium concentration of dye adsorbed with biomass dose.

Figure 4. Variation of equilibrium concentration of dye adsorbed with pH.

Figure 4. Variation of equilibrium concentration of dye adsorbed with pH.

Figure 5. Variation of equilibrium concentration of dye adsorbed with time.

Figure 5. Variation of equilibrium concentration of dye adsorbed with time.

Figure 6. (a) Langmuir and (b) Temkin plots for the adsorption of MB and MG dyes on neem leaves.

Figure 6. (a) Langmuir and (b) Temkin plots for the adsorption of MB and MG dyes on neem leaves.

Table 1. Langmuir and Temkin parameters for the adsorption of MB and MG dyes.

Figure 7. Pseudo (a) first and (b) second-order kinetic plots for the adsorption of MB and MG dyes.

Figure 7. Pseudo (a) first and (b) second-order kinetic plots for the adsorption of MB and MG dyes.

Table 2. Pseudo first and second-order kinetic parameters for the adsorption of MB and MG.

Figure 8. Intra particle diffusion plots for the adsorption of MB and MG on neem leaves.

Figure 8. Intra particle diffusion plots for the adsorption of MB and MG on neem leaves.

Table 3. Calculated quantum chemical descriptors for MB and MG dyes.

Figure 9. HOMO and LUMO molecular orbital diagrams of MB and MB dyes.

Figure 9. HOMO and LUMO molecular orbital diagrams of MB and MB dyes.

Table 4. Condensed Fukui functions for MB dye.

Table 5. Condensed Fukui functions for MG dye.