SEPARATION MEMBRANE SIMULATION METHOD, SIMULATION DEVICE, PROGRAM AND COMPUTER-READABLE STORAGE MEDIUM WITH THE PROGRAM RECORDED THEREON, AND SEPARATION MEMBRANE

摘要

PROBLEM TO BE SOLVED: To estimate structure of a separation membrane having high separation performance, relating to a separation membrane simulation method, a simulation device, a program, and a computer-readable storage medium with the program recorded thereon, and a separation membrane.;SOLUTION: In the simulation of the structure of the separation membrane, structure data of an existing separation membrane is stored (S100), adsorption performance is found for two or more kinds of respective separation object species in the existing separation membrane structure using the grand-canonical Monte Carlo method (S106), a prediction model of the separation membrane structure is created using the multivariable regression technique based on the adsorption performance (S108), diffusion performance of the separation membrane in a plurality of micro pore networks based on the prediction model of the membrane structure is found using the dynamic Monte Carlo method (S122), the separation performance of the virtual separation membrane can be estimated. A CO₂/N₂ separation membrane is a gas separation membrane for carbon dioxide gas and nitrogen gas, with a permeability coefficient of carbon dioxide gas of 1×10^-11 mol×m/m²sPa or more and a separation coefficient of 100 or more. The gas separation membrane has three-dimensional micro pore structure, including micro pores of a micro pore diameter of at least 3.2 to 4.2 Å, and a diameter Dsite of an adsorption site is 7-20 Å.;COPYRIGHT: (C)2008,JPO&INPIT