Materials
for vehicular methane storage have been extensively studied,
although no suitable material has been found. In this work, we use
molecular simulation to investigate three types of carbon-based materials,
Schwarzites, layered graphenes, and carbon nanoscrolls, for use in
vehicular methane storage under adsorption conditions of 65 bar and
298 K and desorption conditions of 5.8 bar and 358 K. Ten different
Schwarzites were tested and found to have high adsorption with maximums
at 273 VSTP/V, but middling deliverable capacities of no
more than 131 VSTP/V. Layered graphene and graphene nanoscrolls
were found to have extremely high CH4 adsorption capacities
of 355 and 339 VSTP/V, respectively, when the interlayer
distance was optimized to 11 Å. The deliverable capacities of
perfectly layered graphene and graphene nanoscrolls were also found
to be exceptional with values of 266 and 252 VSTP/V, respectively,
with optimized interlayer distances. These values make idealized graphene
and nanoscrolls the record holders for adsorption and deliverable
capacities under vehicular methane storage conditions