Synthesis of Amine‐Functionalized Fly Ash‐Infused Polymeric Hydrogel for H2S Removal and Validation Using Molecular Dynamic Simulation
Year: 2025
Type: article
Abstract: ABSTRACT Hydrogen sulfide (H2S) removal from natural gas is critical due to its toxicity and corrosive nature. Adsorption is one of the most effective methods, but polymeric hydrogels often exhibit limited H2S adsorption capacity. To overcome this, an amine‐functionalized fly ash (FA)‐grafted polyacrylic acid (PAA) hydrogel (FA‐g‐PAA) was synthesized using 5 wt.% FA via solution polymerization and functionalized with 30 wt.% monoethanolamine (MEA) to enhance H2S removal. Physiochemical properties and H2S adsorption performance were evaluated using Fourier‐transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET) analysis, thermogravimetric analysis (TGA), and X‐ray diffraction (XRD). The results confirmed the successful grafting of FA and MEA into the PAA matrix. Due to the grafting of FA, the morphology and surface area of the FA‐g‐PAA hydrogel enhanced from 0.04 m2/g (pure hydrogel) to 0.8m 2/g. The breakthrough analysis showed the 30 wt.% MEA‐functionalized FA‐g‐PAA hydrogel demonstrated a superior H2S adsorption capacity of (2.0 mmol/g), significantly outperforming the nonfunctionalized FA‐g‐PAA (1.6 mmol/g) and pure PAA hydrogel (0.08 mmol/g) at room temperature. Molecular dynamics (MD) simulations confirmed the hydrogel model and revealed the synergistic role of FA and MEA in enhancing H2S adsorption. Overall, the MEA‐functionalized FA‐g‐PAA hydrogel shows efficient H2S adsorbent for industrial gas purification applications.
DOI: 10.1002/app.57341
Institution: Universiti Teknologi Petronas
Language: English
Subfield: Mechanical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: bronze
Award: G8242892171
OpenAlex ID: W4410519462