Simulation and experimental study on picosecond UV laser–modified montmorillonite adsorption

Abstract With increasing industrial emissions, mining, and agriculture, heavy metals and organic pollutants accumulate in soil. Traditional treatments are complex, inefficient, and prone to secondary pollution. Natural montmorillonite has high surface area and ion‐exchange capacity, but conventional modifications carry potential risks such as structural collapse and adsorbent re‐release, limiting long‐term use. This study proposes a green modification method using 355 nm picosecond UV laser, exploring its regulation of montmorillonite structure and adsorption via molecular dynamics, neural networks, and experiments. Simulations show laser induces interlayer rearrangement and microfractures affecting adsorption; neural network models predict the relationship between laser parameters and performance. Experiments confirm ∼37% adsorption enhancement at 400 kHz, 0.75 J/cm 2 , with improved surface area and porosity. This work provides theoretical and practical support for precise control and green application of montmorillonite, offering new strategies for soil remediation.