Numerical Simulation Of Shale Gas Adsorption And Desorption Based On Molecular Simulation

Shale gas is a kind of unconventional natural gas which stored in carbonaceous mudstone or black shale.It exists in two states: free and adsorbed.Definition in macro,Toc,Ro,mineral composition and pore structure of shale are important factors affecting of adsorption and desorption in shale;Definition in microscopic,The force between fluid molecules and the pore hole wall fluid between the molecules are important factors affecting of adsorption and desorption in shale.At present,there are lots of adsorption and desorption studies of macro definition,but not in microscopic.the computer simulation technology is used to study the adsorption of methane in the microscopic field of shale.First,this paper introduces the research status and significance of shale gas development at home and abroad,and then introduces the research status of shale gas.Secondly,it induces the characteristics of shale,the present situation of the research area,then compared and analyzed the factors affecting the adsorption and desorption of shale gas.Choose the suitable adsorption model,and analyzed the influence factors in qualitatively and quantitatively.Select the appropriate adsorption curve model.Secondly,introduced the Monte Carlo molecular simulation method,determine the relevant boundary conditions.Includes the following seven steps: 1)1)ensemble selection;2)to establish the model of shale pore adsorption desorption;3)periodic boundary conditions;4)start simulation;5)random process simulation;6)GCMC simulation process;7)turnong micro factors to macro.Then,introduced the development environment is,and the development Visualzation single document program based on C++6.0: A simulation system for gas porous medium adsorption of MC molecules;this system can simulate shale adsorption results in different parameters.The experimental results compared to the simulation results,which verify the feasibility and correctness of the program.Finally,summsrized the whole paper,and puts forward some suggestions for future research.