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Although two moulds for methane gas in coal with the free state and adsorption state have been popularly considered, the derivation between the real methane gas state equation in coal and the perfect gas state equation has been fuzzily considered and the mechanism of interaction for coal aromatics and methane gas molecules has not been understood. Then these problems have been discussed in this paper applied the principle of statistical thermo-mechanics and quanturn chemistry as well as based on the numericai calculating of experiential data in quantum chemistry. Therefore, it is revealed by research results that the experience state equation for real methane gas in coal, which is put forward in this paper, is closer to actual situation and the interaction process for methane gas adsorption on the surface of coal aromatics can be formulated by Morse potential function. Furthermore it is most stable through this research that the structural mould for methane gas molecule adsorption on the surface of coal nuclear with one gas molecule on top of another aromatics in regular triangle cone has been understood, and it is a physical adsorption for methene gas adsorption with single layer molecule on the surface of coal nuclear.