The purpose of this study is to investigate the displacement of coal gangue filling material in road construction and microstructural behavior of treated coal gangue by considering the environmental factors of aqueous solutions with different acidity. The displacement analysis of the coal gangue embankment model has been done by means of the finite element method PLAXIS. Furthermore, using the scanning electron microscope, the energy dispersive system, and the Raman spectrometer to analyze the microscopic mechanism in the view of microstructure, elements, the integrity of carbon structure and the stability of chemical bonds of coal gangue. The results show that the larger displacement of the treated coal gangue subgrade is within 4.0 m below the top of the subgrade, and the maximum displacement value is about 7 mm, which is less than the displacement of untreated coal gangue sample. While the treated A-CG and T-CG grain size, surface area and internal friction angle increase, the unstable carbon structure is destroyed, so its shear strength, compression performance, and consolidation effect are improved. S-CG particles are coated with Na-Si-Al gel, which enhances the density, viscosity and shear strength, thus ensuring the stability of the coal gangue subgrade. The treated coal gangue subgrade slope foot displacement, boundary shear stress and safety factor are all meet the specification requirements.