The Preparation of High-performance Mesoporous Proposed Pseudo-boehmite (γ-AlOOH) Modified by H₂O₂ Based on Molecular Dynamics

Abstract

To efficiently address the current high cost associated with preparing pseudo-boehmite from organic aluminum, a low-cost alternative, AlCl₃, is employed as the raw material. The sol-gel method is utilized, and H₂O₂ is incorporated for the modification of pseudo-boehmite. The modification mechanism is thoroughly investigated through the use of X-ray powder diffractometer, scanning electron microscope, and BET data analysis, as well as molecular dynamics simulations. Under specific conditions (temperature at 80 °C, pH=7, and H₂O₂ volume ratios of 0.5:1, 1:1, and 2:1), mesoporous pseudo-boehmite is synthesized with a specific surface area of 227 m²/g, a pore volume of 0.281 cm³/g, a pore size of 6.78 nm, and a peptizing index of 99.47%. A novel and innovative methodology for the cost-effective production of high-performance alumina is offered through the approach.

Keywords

aluminum oxide / molecular dynamics / mesoporous material / pseudo-boehmite / porous structures

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