A microscopic comparison and experimental
verification method for the wettability of similar surfactants to
coal dust, comprising the following steps: S1, collecting an on-site
coal sample from a mining area, crushing into
powder, and then performing
infrared spectrographic analysis and
nuclear magnetic resonance spectrographic analysis to obtain information of functional groups and carbon structures of
coal molecules; S2, constructing a surfactant-coal
electrostatic interaction model, and analyzing an orbital energy difference and an electrostatic
potential difference between surfactant molecules and the coal molecules; S3, analyzing the strength and energy of
hydrogen bonds between surfactants and water molecules, wherein the strength is determined by bond angles and bond lengths of the
hydrogen bonds; S4, constructing a surfactant-coal-water molecule periodic solution model, and performing geometric optimization on the surfactant-coal-water molecule periodic solution model, so that the surfactant-coal-water molecule periodic solution model reaches a stable configuration; S5, performing NPT
simulation and NVT
simulation on the periodic solution model; and S6, performing experimental
verification, so that the problems of long experimental time and high cost and the like of current selection of surfactants can be effectively solved, and a simple and effective thought is provided for the selection of surfactants.