Computer simulation studies of the storage of methane in microporous carbons

Journal Article · Sun Nov 01 04:00:00 EST 1992 · Separation Science and Technology; (United States)

DOI:https://doi.org/10.1080/01496399208019453· OSTI ID:6910751

Bojan, M J; Steele, W ^[1]; Slooten, R van ^[2]

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1. Pennsylvania State Univ., University Park (United States)
2. Plaxair, Tonawanda, NY (United States)

Simulated isotherm and energies of adsorption are reported for methane in a number of model porous solids at 300 K. The solids are made up of graphite basal planes arranged to make either parallel-walled slit pores or pores of triangular cross section. The limiting low coverage behavior was characterized by direct calculations of Henry's law constants and average gas-solid energies for the pore systems considered. The isotherms were evaluated for pressures ranging up to 50 atm by utilizing the Widom particle insertion algorithm. The simulations and calculations were carried out for a range of pore sizes and, in the case of the triangular cross-section, for a range of apex angles in the isosceles triangles considered. Methane storage capacities of model solids were evaluated for values of the porosity based on two different choices of pore wall thickness. Although it is shown that adsorption is not limited to monolayer formation under these conditions, capacities obtained are not sufficiently large to meet or exceed the commonly stated requirements for use in automotive fuel storage.

• OSTI ID: 6910751
• Journal Information: Separation Science and Technology; (United States), Journal Name: Separation Science and Technology; (United States) Vol. 27:14; ISSN 0149-6395; ISSN SSTEDS
• Country of Publication: United States
• Language: English

Related Subjects

03 NATURAL GAS
032000* -- Natural Gas-- Transport
Handling
& Storage
ADSORPTION
ADSORPTION HEAT
ADSORPTION ISOTHERMS
ALKANES
AUTOMOBILES
CARBON
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
DATA
ELEMENTAL MINERALS
ELEMENTS
ENTHALPY
FUEL SUBSTITUTION
GRAPHITE
HYDROCARBONS
INFORMATION
ISOTHERMS
METHANE
MICROSTRUCTURE
MINERALS
NONMETALS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
POROSITY
SIMULATION
SORPTION
SORPTIVE PROPERTIES
STORAGE
SURFACE PROPERTIES
THERMODYNAMIC PROPERTIES
VEHICLES