Molecular simulation-based shale multi-mineral-composition core skeleton model establishment method

The invention relates to a molecular simulation-based shale multi-mineral component core skeleton model establishment method, which comprises: (1) extracting a stratum shale sample, obtaining mineral component information through an X-ray diffraction experiment, and calculating the percentage content of each mineral component; (2) respectively constructing each mineral original unit cell unit model; (3) cutting the original unit cell unit model to obtain a surface which is most easily exposed to the outside as a minimum unit of the complex mineral model; (4) calculating the minimum integer ratio of each mineral molecule in the shale sample to obtain the number of each mineral molecule required for establishing the model; (5) an Amorphus Cell Calculation plate of molecular simulation software Materials Studio is used for carrying out random adsorption filling on the section model of each mineral original unit cell unit, and a composite mineral model composed of different mineral unit cells is formed; and (6) c