Table 1: Parameters for the validation case.


Formation temperatureK300
Gas typeCO2
Gas molecule diameterm4.64 × 10−10
Gas molar massMkg/mol4.4 × 10−2
Universal gas constantJ/(mol·K)8.3145
Boltzmann constantJ/K1.3805 × 10−23
Molar volume of gas under standard conditionm3/mol0.0224
Avogadro’s constant1/mol6.02 × 1023
Langmuir pressureMPa1.8
Isosteric adsorption heat at the gas coverage of zeroJ/mol203,000
The ratio of the rate constant for blockage to the rate constant for forward migrationDimensionless0.21
Pore diameternm2.8

The parameters highlighted with asterisk () are matched with the experimental data.