Submission Deadline

Volume 44 , Issue 01 | 25 Mar 2024

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Volume 44 , Issue 01 | 31 Mar 2024

About the Journal

[This article belongs to Volume - 42, Issue - 01]

Abstract :

Biomethane route has large potential in emission reduction and energy saving. One of the key issues is separation of biogas in operating conditions of 333 K and 1 bar. Grand canonical Monte Carlo (GCMC) and equilibrium molecular dynamics simulations (EMD) were us ed to compute adsorption loadings and self-diffusivities of CH 4 /CO 2 at various diameters of carbon nanotube (CNT) bundles. Single component and equimolar gases were simulated. CO 2 always had larger adsorption loading and diffusion coefficient than CH 4 as the result of relatively strong interaction between CO 2molecules and tube walls, due to the confined capacity. The permselectivity reached a maximum in closely 1 nm, and under such conditions the separation process was controlled by adsorption rather than diffusion.