Figure 6
From: High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide
Selectivity screening by CO2 working capacity: Calculated capacities, 
, of CO2 of the TM–porphyrin-like graphenes as a function of temperature under total pressure, 
, of 10−3 bar using Eq. (3): (a) Sc–porphyrin-like graphene and (b) V–porphyrin-like graphene. The following different compositions of gases were considered: Pure CO2 (100%), CO2 (89%)-N2 (11%), CO2 (40%)-H2 (57%)-N2 (3%), CO2 (20%)-H2 (75%)-CH4 (5%), and CO2 (17%)-N2 (83%). The partial pressure of gases is given by 
, where 
is the composition of the gas. Calculated working capacities of CO2 in the TM–porphyrin-like graphene as a function of the total pressure, 
, of the gases from 
, the difference between 
at 300 K and 
at 450 K: (c) Sc–porphyrin-like graphene and (d) V–porphyrin-like graphene.
