Adsorption and Transport at the Nanoscale

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ACF
ACF Material
activated carbon fibers
Adsorption Isotherms
advanced adsorption transport modeling
Bet Method
canonical
Capillary Condensation
carlo
Category=PNRX
Cylindrical Pore
Darken Factor
electrolyte solution modeling
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eq_isMigrated=1
eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
GCMC
GCMC Method
grand
Grand Canonical Monte Carlo Simulations
Hexatic Phase
Isosteric Heat
isotherm
IUPAC Classification
Landau Free Energy
MC
MD Simulation
molecular
molecular dynamics
Molecular Simulation
monte
nanoporous materials
numerical simulation techniques
Pore Width
pores
Radial Distribution Functions
Rough Pore
Silica Ratios
simulation
simulations
slit
Slit Pore
Slit Pore Model
Smooth Pore
Xe Atoms
zeolitic frameworks

Product details

  • ISBN 9780415327015
  • Weight: 453g
  • Dimensions: 156 x 234mm
  • Publication Date: 15 Dec 2005
  • Publisher: Taylor & Francis Ltd
  • Publication City/Country: GB
  • Product Form: Hardback
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Nanoporous materials are used widely in industry as adsorbents, particularly for applications where selective adsorption of one fluid component from a mixture is important. Nanoscale structures are of increasing interest for micro- and nanofluidic devices. Computational methods have an important role to play in characterizing, understanding, and designing such materials. Adsorption and Transport at the Nanoscale gives a survey of computational methods and their applications in this burgeoning field. Beginning with an overview of adsorption and transport phenomena at the nanoscale, this book details several important simulation techniques for characterization and modeling of nanomaterials and surfaces. Expert contributors from Europe, Asia, and the US discuss topics including Monte Carlo simulation for modeling gas adsorption; experimental and simulation studies of aniline in activated carbon fibers; molecular simulation of templated mesoporous materials and adsorption of guest molecules in zeolitic materials; as well as computer simulation of isothermal mass transport in graphitic slit pores. These studies elucidate the chemical and physical phenomena while demonstrating how to perform the simulation techniques, illustrating their advantages, drawbacks, and limitations. A survey of recent progress in numerical simulation of nanomaterials, Adsorption and Transport at the Nanoscale explains the central role of molecular simulation in characterizing and designing novel materials and devices.