Synthesis and Characterization of Zn–Organic Frameworks Containing Chitosan as a Low-Cost Inhibitor for Sulfuric-Acid-Induced Steel Corrosion: Practical and Computational Exploration

In this work, a Zn–benzenetricarboxylic acid (Zn@H(3)BTC) organic framework coated with a dispersed layer of chitosan (CH/Zn@H(3)BTC) was synthesized using a solvothermal approach. The synthesized CH/Zn@H(3)BTC was characterized by Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscope (FESEM), thermal gravimetric analysis (TGA), and Brunauer, Emmett, and Teller (BET) surface area. The microscopic observation and the analysis of the BET surface area of CH/Zn@H(3)BTC nanocomposites indicated that chitosan plays an important role in controlling the surface morphology and surface properties of the Zn@H(3)BTC. The obtained findings showed that the surface area and particle size diameter were in the range of 80 m(2) g(−1) and 800 nm, respectively. The corrosion protection characteristics of the CH/Zn@H(3)BTC composite in comparison to pristine chitosan on duplex steel in 2.0 M H(2)SO(4) medium determined by electrochemical (E vs. time, PDP, and EIS) approaches exhibited that the entire charge transfer resistance of the chitosan- and CH/Zn@H(3)BTC-composite-protected films on the duplex steel substrate was comparatively large, at 252.4 and 364.8 Ω cm(2) with protection capacities of 94.1% and 97.8%, respectively, in comparison to the unprotected metal surface (R(p) = 20.6 Ω cm(2)), indicating the films efficiently protected the metal from corrosion. After dipping the uninhabited and protected systems, the surface topographies of the duplex steel were inspected by FESEM. We found the adsorption of the CH/Zn@H(3)BTC composite on the metal interface obeys the model of the Langmuir isotherm. The CH/Zn@H(3)BTC composite revealed outstanding adsorption on the metal interface as established by MD simulations and DFT calculations. Consequently, we found that the designed CH/Zn@H(3)BTC composite shows potential as an applicant inhibitor for steel protection.