Preparation of composite high-efficiency dust suppressant and relevant molecular dynamics simulation for wetting coal surface. (15th July 2021)

• Record Type: Journal Article
• Authors: Liu, Zongqi; Zhou, Gang; Duan, Jinjie; Liu, Dong; Zhang, Qingtao; Guo, Shengjun
• Is Part Of: Fuel. Volume 296(2021)
• Publication Date: 2021-07-15
• Subjects: Carboxymethyl chitosan -- Composite dust suppressant -- Coal dust wetting -- Molecular dynamics simulation -- Experimental analysis; Fuel -- Periodicals; Coal -- Periodicals; Coal; Fuel; Periodicals; 662.6
• DOI: 10.1016/j.fuel.2021.120579
• Languages: English
• ISSNs: 0016-2361

Abstract

Graphical abstract: Highlights: High-efficiency dust suppressant for mines was synthesised by graft copolymerisation. Four optimum conditions were determined by a single-factor experiment. The highest water absorption rate of dust suppressant can reach 138 g/g. The water absorption process of dust suppressant is a physical change process. The dust suppressant acts primarily on the coal/water interface. Abstract: A new type of high-efficiency dust suppressant for mines was synthesised by graft copolymerisation, with carboxymethyl chitosan serving as the matrix, and the microscopic adsorption mechanism of this dust suppressant was studied by molecular dynamics simulation. Four optimum conditions were determined by a single-factor experiment, namely, the amount of 2-acrylamide-2-methylpropanesulfonic acid was 5 g, the amount of initiator was 2.0% monomer, the amount of crosslinking agent was 0.2 g, and the optimum reaction temperature was 50 °C. The results of the water absorption test show that the product has strong water absorption, and the water absorption rate can reach 138 g/g, The results of the molecular dynamics simulation show that the structure and morphology of the dust suppressant do not change during water absorption; only the diffusion of water molecules in the molecular gap of the dust suppressant changes. The experimental results of the dust suppression performance show that the product can cover the surface of coal dust and form a colloidal film, which can effectively inhibit the spread of coal dust. The results of molecular dynamics simulation show that the dust suppressant acts primarily on the coal/water interface, which promotes the diffusion of water molecules on the coal surface. With the progress of the reaction, the dust suppressant molecules combine with each other and move and permeate towards the coal seam, with one end facing the coal seam and the other facing the water phase, thereby attracting water molecules to migrate towards the coal seam.