كيمياء فيزيائية Adsorption and Transport at the Nanoscale

chemistry

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Adsorption and Transport at the Nanoscale

by
Nick Quirke
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By
Publisher: CRC
Number Of Pages: 186
Publication Date: 2006-12-15
ISBN-10 / ASIN: 0415327016
ISBN-13 / EAN: 9780415327015
Binding: Hardcover



Book Description

In physical chemistry research, molecular simulation has a unique role as an intermediary between theory and experiment. Adsorption and Transport at the Nanoscale presents an overview of the progress made in the application of computer simulation to adsorption, particularly to the study of adsorption in pores. It includes the topics of modeling gas adsorption in slit pores using Monte Carlo simulation, computer simulation of isothermal mass transport in graphite slit pores, adsorption and transport at the nanoscale, synthesis and characterization of templated mesoporous material using molecular simulation, and more. This volume is a valuable resource for graduate students and researchers in chemistry and physics.
Contents
Chapter 1 Adsorption and transport at the nanoscale
Chapter 2 Modelling gas adsorption in slit-pores using
Monte Carlo simulation
Chapter 3 Effect of confinement on melting in slit-shaped
pores: experimental and simulation study of aniline
in activated carbon fibers
Chapter 4 Synthesis and characterization of templated
mesoporous materials using molecular simulation
Chapter 5 Adsorption/condensation of xenon in mesopores
having a microporous texture or a surface roughness
Chapter 6 Molecular simulation of adsorption of guest
molecules in zeolitic materials: a comparative study
of intermolecular potentials
Chapter 7 Molecular dynamics simulations for 1:1
solvent primitive model electrolyte solutions
Chapter 8 Computer simulation of isothermal mass transport
in graphite slit pores
Chapter 9 Simulation study of sorption of CO2 and N2
with application to the characterization of
carbon adsorbents

 


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