The expression of surface fractal dimension (SFD) for size fractions of the Yellow River sediment was deduced. Based on the expression, the SFD value of different size fractions of the sediment was calculated. The SFD value of the sediment in the Baotou section of the Yellow River is 1.91, and the SFD value of the sediment smaller than 63 microm is 1.36, indicating strong ablation and separating ability of the Yellow River water. Using the modified fractal model, Freundlich model and Langmuir model to fit the data of heavy metal (Cu, Pb, Zn and Cd) adsorption, it is found that the modified fractal model is more available. And the adsorptive thermodynamics is better described by combining the modified fractal model and metastable equilibrium adsorption (MEA) theory. The variation extents of equilibrium adsorption capacity influenced by different grain size are ranked as Cu > Pb > Zn approximately equal to Cd. For each selected heavy metal, the higher initial concentration is, the stronger variation of adsorption capacity will be. The adsorptions of Cu and Pb are mainly associated with mineral composition of the sediment, while the adsorptions of Zn and Cd are mainly associated with physical characteristics of the sediment surface.