In this paper, the fractal dimension of coal surfaces was calculated using the fractal theory, and the influence of different surfactants on the fractal dimension of coal surface was studied. Six kinds of sustainable and traditional surfactants used in coal gas desorption processes were compared and analyzed. We used mineral gas fertilizer coal from Huainan Liuzhuang, China, as the research object and studied sodium dodecyl benzene sulfonate (SDBS), cohol diethanolamide (CDEA), nonylphenol polyoxyethylene ether (NP-10), tea saponin, sucrose ester and rhamnolipid surfactants used to modify coal. The methane adsorption capacity of coal before and after surfactant modification was measured by low field nuclear magnetic resonance methane adsorption, and Langmuir volume and Langmuir pressure were obtained according to the Langmuir fitting equation. The results showed that from the perspective of fractal dimensions, the best surfactant in the context of sustainability (in order) is rhamnolipid, CDEA, tea saponin, sucrose ester. According to the two important parameters VL and PL in the Langmuir equation, the coal sample modified by sucrose ester had the strongest gas adsorption capacity. According to the numerical analysis of the surface fractal dimension DS of the coal modified by surfactants, the soluble organic matter in the raw coal samples dissolved, and the micropore morphology evolved to become mesoporous or macroporous, which is more favorable for desorption. The coal samples modified by rhamnolipid and SDBS had the strongest gas desorption ability.