Adsorption of humic acid by amine-modified nanocellulose: an experimental and simulation study

Abstract

The purpose of this study was to evaluate the adsorption of humic acid (HA) by amine-modified nanocellulose. At first, nanocellulose was synthesized by acid hydrolysis, and then was modified by N-(2-aminoethyl)-3-aminopropylmethyldimethoxysilane. In the next step, HA and amine-modified nanocellulose were incubated at different conditions (pH, incubation time, temperature, and concentration). Furthermore, we used molecular dynamic (MD) simulation for observation of adsorption at molecular scale. For this purpose, HA and amine-modified nanocellulose were prepared by HyperChem software (Hypercube, Inc., USA), and inserted in Ascalaph Designer 1.8.69 software. Once equilibrium was reached, interactions were simulated for 1,000 ps. Finally, different parameters such as interaction energy, potential energy, and root-mean-square displacement (RMSD) were measured. This study demonstrated that the adsorption of HA was pH-, temperature-, dose-, and time-dependent. Based on simulation results, the interaction energy was reduced, but potential energy and RMSD were increased at the final stage of simulation, which indicated the adsorption of HA. The authors suggest amine-modified nanocellulose for removal of HA in wastewater.

Highly efficient film-like nanocellulose-based adsorbents for the removal of loose reactive dye during textile laundering

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Magnetic iron oxide nanoparticles (MIONs) cross‐linked natural polymer‐based hybrid gel beads: Controlled nano anti‐TB drug delivery application

“…(B)]. In an acidic medium (pH = 5.0), NH 2 groups in CS polymer networks were protonated into – groups, which can facilitate to weaken the interaction between CS and PEG polymer chains (cross‐linking density decreased). Consequently, a larger amount of nano RIF was dissolved in the buffer solution and released via diffusion in acidic medium.…”

Nanocellulose as a green and sustainable emerging material in energy applications: a review

“…Thus, nanocellulose is the subject of a wide spectrum of research efforts in the improvement of rheology modifiers, optical devices, coating components, reinforcing agents, and stabilizers of multiphase systems . In the field of energy application, NCC in different forms has been used; for example, NCC in crystal and fibril forms has been added as an energy adsorbent to increase the reinforcement effect of polymeric material …”