Monte Carlo Simulation of O2 and N2 Adsorption in Nanoporous Carbon (C168 Schwarzite)
نویسندگان
چکیده
منابع مشابه
Characterization of Carbon Nanotube (CNT) in Adsorption Gas: Monte Carlo and Langevin Dynamic Simulation
Nanostructures have considerably higher surface areas than their bulk counterparts; thereforesurfaces often play important, sometimes even dominant, roles in the nanostructure properties. Thenanocrystalline and nanotubes have low band gaps and high carrier mobility, thus offeringappealing potential as absorption gas. Interaction between methanol molecules and carbonnanotube is investigated usin...
متن کاملBoltzmann Equation Analysis and Monte Carlo Simulation of Electron Transport in N2-O2 streamer discharge
1 Centre for Mathematics and Computer Science (CWI), P.O.Box 94079, 1090 GB Amsterdam, The Netherlands. Phone/FAX: +31-20-592-4164/+31-20-592-4199 E-mail:[email protected] 2 Institute of Physics, University of Belgrade, P.O.Box 68, 11080 Zemun, Belgrade, Serbia. 3 ARC Centre for Antimatter-Matter Studies, School of Engineering and Physical Sciences, James Cook University, 4810 Townsville, QL...
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Adsorption of pure and mixtures of O(2) and N(2) on isolated single-walled carbon nanotube (SWCNT) have been investigated at the subcritical (77 K) and different supercritical (273, 293, and 313 K) temperatures for the pressure range between 1 and 31 MPa using (N,V,T) Monte Carlo simulation. Both O(2) and N(2) gravimetric storage capacity exhibit similar behaviors, gas adsorption is higher on o...
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nanostructures have considerably higher surface areas than their bulk counterparts; thereforesurfaces often play important, sometimes even dominant, roles in the nanostructure properties. thenanocrystalline and nanotubes have low band gaps and high carrier mobility, thus offeringappealing potential as absorption gas. interaction between methanol molecules and carbonnanotube is investigated usin...
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We developed and employed the incremental gauge cell method to calculate the chemical potential (and thus free energies) of long, flexible homopolymer chains of Lennard-Jones beads with harmonic bonds. The free energy of these chains was calculated with respect to three external conditions: in the zero-density bulk limit, confined in a spherical pore with hard walls, and confined in a spherical...
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ژورنال
عنوان ژورنال: Langmuir
سال: 2003
ISSN: 0743-7463,1520-5827
DOI: 10.1021/la030166o