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The results of the maximum excess sorption for CH4 and CO2 reported by Li et al. (2010) are around 2.4 % and 17.2 % lower than our simulation results.
Our molecular simulation results indicate a maximum excess sorption capacity of around 0.82 and 1.57 mol/kg for CH4 and CO2 on the bituminous coal (dry, ash-free), respectively.
Li et al. (2010) reported that at 35 °C, the maximum excess sorption capacity of the medium-volatile bituminous coal (dry, ash-free) for CH4 and CO2 is around 0.8 and 1.3 mol/kg, respectively.
Similar(57)
Similar to those obtained by Li et al. (2010), we also observed that after passing through the maximum, the lower temperature excess sorption isotherms decline more rapidly than the higher temperature isotherms, which results in an intersection of the isotherms at ~4.5 MPa for C2H6 and ~7.8 MPa for CO2.
The results qualitatively agree with available experimental data; namely, at fixed temperature the excess sorption is found to show a maximum near the pressure at which the pores fill; at fixed pressure the excess adsorption is found to decrease as the temperature increases and as the pore width expands.
At higher pressure, the absolute sorption and excess sorption are different.
The excess sorption is the difference between the absolute sorption and the amount of gas in the reference system.
The intersection corresponds to a reversal point of the temperature dependence of the excess sorption isotherms.
When the bulk phase density approaches the adsorbed phase density, the excess sorption would become zero.
Based on our porosity result of 17%% and the absolute sorption, we calculate the excess sorption which is the relevant physical observable in experiments.
It also offers insights into aspects of the excess sorption and its relationship with bulk phase density.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com