Towards Performant Design of Carbon-Based Nanomotors for Hydrogen Separation through Molecular Dynamics Simulations.

ABSTRACT: Clean energy technologies represent a hot topic for research communities worldwide. Hydrogen fuel, a prized alternative to fossil fuels, displays weaknesses such as the poisoning by impurities of the precious metal catalyst which controls the reaction involved in its production. Thus, separating H2 out of the other gases, meaning CH4, CO, CO2, N2, and H2O is essential. We present a rotating partially double-walled carbon nanotube membrane design for hydrogen separation and evaluate its performance using molecular dynamics simulations by imposing three discrete angular velocities. We provide a nano-perspective of the gas behaviors inside the membrane and extract key insights from the filtration process, pore placement, flux, and permeance of the membrane. We display a very high selectivity

SUBMITTER: Muraru S 

PROVIDER: S-EPMC7766832 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature